2,3-dihydroinden-1-one;methane;5-methyl-10H-indeno[1,2-b]indole;1-methyl-1-phenylhydrazine;hydrochloride

C33H36ClN3O — CID 157208595

IUPAC2,3-dihydroinden-1-one;methane;5-methyl-10H-indeno[1,2-b]indole;1-methyl-1-phenylhydrazine;hydrochloride
SMILESC.CN(N)c1ccccc1.Cl.Cn1c2c(c3ccccc31)Cc1ccccc1-2.O=C1CCc2ccccc21
InChIInChI=1S/C16H13N.C9H8O.C7H10N2.CH4.ClH/c1-17-15-9-5-4-8-13(15)14-10-11-6-2-3-7-12(11)16(14)17;10-9-6-5-7-3-1-2-4-8(7)9;1-9(8)7-5-3-2-4-6-7;;/h2-9H,10H2,1H3;1-4H,5-6H2;2-6H,8H2,1H3;1H4;1H
InChIKeyCODBDRVLSIAQKR-UHFFFAOYSA-N
MW526.12 g/mol
LogP7.62
Rot. Bonds1

About 2,3-dihydroinden-1-one;methane;5-methyl-10H-indeno[1,2-b]indole;1-methyl-1-phenylhydrazine;hydrochloride

2,3-dihydroinden-1-one;methane;5-methyl-10H-indeno[1,2-b]indole;1-methyl-1-phenylhydrazine;hydrochloride (PubChem CID 157208595) has the molecular formula C33H36ClN3O and a molecular weight of 526.12 g/mol. Its IUPAC name is 2,3-dihydroinden-1-one;methane;5-methyl-10H-indeno[1,2-b]indole;1-methyl-1-phenylhydrazine;hydrochloride.

Molecular Properties

Compound Name2,3-dihydroinden-1-one;methane;5-methyl-10H-indeno[1,2-b]indole;1-methyl-1-phenylhydrazine;hydrochloride
PubChem CID157208595
Molecular FormulaC33H36ClN3O
Molecular Weight526.12 g/mol
Exact Mass525.25
IUPAC Name2,3-dihydroinden-1-one;methane;5-methyl-10H-indeno[1,2-b]indole;1-methyl-1-phenylhydrazine;hydrochloride
SMILESC.CN(N)c1ccccc1.Cl.Cn1c2c(c3ccccc31)Cc1ccccc1-2.O=C1CCc2ccccc21
InChIInChI=1S/C16H13N.C9H8O.C7H10N2.CH4.ClH/c1-17-15-9-5-4-8-13(15)14-10-11-6-2-3-7-12(11)16(14)17;10-9-6-5-7-3-1-2-4-8(7)9;1-9(8)7-5-3-2-4-6-7;;/h2-9H,10H2,1H3;1-4H,5-6H2;2-6H,8H2,1H3;1H4;1H
InChIKeyCODBDRVLSIAQKR-UHFFFAOYSA-N
XLogP7.62
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.12
LogP ≤ 57.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,3-dihydroinden-1-one;methane;5-methyl-10H-indeno[1,2-b]indole;1-methyl-1-phenylhydrazine;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

ethane;5-methyl-6H-indeno[2,1-b]indole;5-methyl-10H-indeno[1,2-b]indole
CID 157267257
5,12-dimethyl-7H-indolo[3,2-d][1]benzazepin-6-one
CID 86082125
5-methyl-6H-indeno[2,1-b]indole
CID 13129411
5-prop-2-enyl-10H-indeno[1,2-b]indole
CID 18424932
1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,17,19,21,23-undecaene
CID 149183864
9-methyl-2,4-dihydro-1H-carbazol-3-one
CID 12026696
18-methyl-18-azatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,9,12,14,16-octaene
CID 145265092
2,3-dihydroinden-1-one;sulfamic acid
CID 159659034
17-methyl-17-azatetracyclo[8.7.0.02,8.011,16]heptadeca-1(10),2,7,11,13,15-hexaene
CID 166798198
5-methyl-11H-indeno[1,2-b]carbazole
CID 71127484
22-phenyl-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
CID 159131557
(20-methyl-2,20-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaen-12-yl) benzoate
CID 155812113

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroinden-1-one;methane;5-methyl-10H-indeno[1,2-b]indole;1-methyl-1-phenylhydrazine;hydrochloride?
The IUPAC name of 2,3-dihydroinden-1-one;methane;5-methyl-10H-indeno[1,2-b]indole;1-methyl-1-phenylhydrazine;hydrochloride (CID 157208595) is 2,3-dihydroinden-1-one;methane;5-methyl-10H-indeno[1,2-b]indole;1-methyl-1-phenylhydrazine;hydrochloride.
What is the SMILES notation for 2,3-dihydroinden-1-one;methane;5-methyl-10H-indeno[1,2-b]indole;1-methyl-1-phenylhydrazine;hydrochloride?
The canonical SMILES for 2,3-dihydroinden-1-one;methane;5-methyl-10H-indeno[1,2-b]indole;1-methyl-1-phenylhydrazine;hydrochloride is C.CN(N)c1ccccc1.Cl.Cn1c2c(c3ccccc31)Cc1ccccc1-2.O=C1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroinden-1-one;methane;5-methyl-10H-indeno[1,2-b]indole;1-methyl-1-phenylhydrazine;hydrochloride?
The InChIKey is CODBDRVLSIAQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N.C9H8O.C7H10N2.CH4.ClH/c1-17-15-9-5-4-8-13(15)14-10-11-6-2-3-7-12(11)16(14)17;10-9-6-5-7-3-1-2-4-8(7)9;1-9(8)7-5-3-2-4-6-7;;/h2-9H,10H2,1H3;1-4H,5-6H2;2-6H,8H2,1H3;1H4;1H.
What are the key properties of 2,3-dihydroinden-1-one;methane;5-methyl-10H-indeno[1,2-b]indole;1-methyl-1-phenylhydrazine;hydrochloride?
2,3-dihydroinden-1-one;methane;5-methyl-10H-indeno[1,2-b]indole;1-methyl-1-phenylhydrazine;hydrochloride has a molecular weight of 526.12 g/mol, XLogP of 7.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroinden-1-one;methane;5-methyl-10H-indeno[1,2-b]indole;1-methyl-1-phenylhydrazine;hydrochloride is sourced from PubChem (CID 157208595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).