(3E)-3-(1H-imidazol-2-ylmethylidene)-9-methyl-1,2-dihydrocarbazol-4-one

C17H15N3O — CID 23036580

IUPAC(3E)-3-(1H-imidazol-2-ylmethylidene)-9-methyl-1,2-dihydrocarbazol-4-one
SMILESCn1c2c(c3ccccc31)C(=O)/C(=C/c1ncc[nH]1)CC2
InChIInChI=1S/C17H15N3O/c1-20-13-5-3-2-4-12(13)16-14(20)7-6-11(17(16)21)10-15-18-8-9-19-15/h2-5,8-10H,6-7H2,1H3,(H,18,19)/b11-10+
InChIKeySPWWJGKZHVXWRV-ZHACJKMWSA-N
MW277.33 g/mol
LogP3.11
Rot. Bonds1

About (3E)-3-(1H-imidazol-2-ylmethylidene)-9-methyl-1,2-dihydrocarbazol-4-one

(3E)-3-(1H-imidazol-2-ylmethylidene)-9-methyl-1,2-dihydrocarbazol-4-one (PubChem CID 23036580) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is (3E)-3-(1H-imidazol-2-ylmethylidene)-9-methyl-1,2-dihydrocarbazol-4-one.

Molecular Properties

Compound Name(3E)-3-(1H-imidazol-2-ylmethylidene)-9-methyl-1,2-dihydrocarbazol-4-one
PubChem CID23036580
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name(3E)-3-(1H-imidazol-2-ylmethylidene)-9-methyl-1,2-dihydrocarbazol-4-one
SMILESCn1c2c(c3ccccc31)C(=O)/C(=C/c1ncc[nH]1)CC2
InChIInChI=1S/C17H15N3O/c1-20-13-5-3-2-4-12(13)16-14(20)7-6-11(17(16)21)10-15-18-8-9-19-15/h2-5,8-10H,6-7H2,1H3,(H,18,19)/b11-10+
InChIKeySPWWJGKZHVXWRV-ZHACJKMWSA-N
XLogP3.11
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-methyl-9-[(5-methyl-1H-imidazol-4-yl)methylidene]-7,8-dihydro-6H-cyclohepta[b]indol-10-one
CID 67885622
N-(4-methyl-2,3-dihydrocyclopenta[b]indol-1-ylidene)hydroxylamine
CID 603347
9-methyl-2,4-dihydro-1H-carbazol-3-one
CID 12026696
(5Z)-5-(2-amino-5-oxo-1H-imidazol-4-ylidene)-10-methyl-3,4-dihydro-2H-azepino[3,4-b]indol-1-one
CID 135424985
5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one
CID 2099
10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methylidene]-8,9-dihydropyrido[1,2-a]indol-6-one
CID 54016559
3-(1H-imidazol-2-ylmethyl)-9-methyl-3,4-dihydro-2H-carbazol-1-one
CID 22400310
5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-1-carboxamide
CID 23559680
bis(9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one);hydrochloride
CID 160789760
ethane;9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one
CID 142101652
11-methyl-8,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12(16)-hexaen-15-one
CID 11736496
5-(1-benzothiophen-3-ylmethylidene)-1-methyl-6,7-dihydroindazol-4-one
CID 71940906

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(1H-imidazol-2-ylmethylidene)-9-methyl-1,2-dihydrocarbazol-4-one?
The IUPAC name of (3E)-3-(1H-imidazol-2-ylmethylidene)-9-methyl-1,2-dihydrocarbazol-4-one (CID 23036580) is (3E)-3-(1H-imidazol-2-ylmethylidene)-9-methyl-1,2-dihydrocarbazol-4-one.
What is the SMILES notation for (3E)-3-(1H-imidazol-2-ylmethylidene)-9-methyl-1,2-dihydrocarbazol-4-one?
The canonical SMILES for (3E)-3-(1H-imidazol-2-ylmethylidene)-9-methyl-1,2-dihydrocarbazol-4-one is Cn1c2c(c3ccccc31)C(=O)/C(=C/c1ncc[nH]1)CC2.
What is the InChIKey of (3E)-3-(1H-imidazol-2-ylmethylidene)-9-methyl-1,2-dihydrocarbazol-4-one?
The InChIKey is SPWWJGKZHVXWRV-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H15N3O/c1-20-13-5-3-2-4-12(13)16-14(20)7-6-11(17(16)21)10-15-18-8-9-19-15/h2-5,8-10H,6-7H2,1H3,(H,18,19)/b11-10+.
What are the key properties of (3E)-3-(1H-imidazol-2-ylmethylidene)-9-methyl-1,2-dihydrocarbazol-4-one?
(3E)-3-(1H-imidazol-2-ylmethylidene)-9-methyl-1,2-dihydrocarbazol-4-one has a molecular weight of 277.33 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(1H-imidazol-2-ylmethylidene)-9-methyl-1,2-dihydrocarbazol-4-one is sourced from PubChem (CID 23036580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).