5a,6,10b-trimethyl-2-nitro-11H-chromeno[2,3-b]indole

C18H18N2O3 — CID 139243709

IUPAC5a,6,10b-trimethyl-2-nitro-11H-chromeno[2,3-b]indole
SMILESCN1c2ccccc2C2(C)Cc3cc([N+](=O)[O-])ccc3OC12C
InChIInChI=1S/C18H18N2O3/c1-17-11-12-10-13(20(21)22)8-9-16(12)23-18(17,2)19(3)15-7-5-4-6-14(15)17/h4-10H,11H2,1-3H3
InChIKeyASAHHMWCBUCVJT-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.65
Rot. Bonds1

About 5a,6,10b-trimethyl-2-nitro-11H-chromeno[2,3-b]indole

5a,6,10b-trimethyl-2-nitro-11H-chromeno[2,3-b]indole (PubChem CID 139243709) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 5a,6,10b-trimethyl-2-nitro-11H-chromeno[2,3-b]indole.

Molecular Properties

Compound Name5a,6,10b-trimethyl-2-nitro-11H-chromeno[2,3-b]indole
PubChem CID139243709
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name5a,6,10b-trimethyl-2-nitro-11H-chromeno[2,3-b]indole
SMILESCN1c2ccccc2C2(C)Cc3cc([N+](=O)[O-])ccc3OC12C
InChIInChI=1S/C18H18N2O3/c1-17-11-12-10-13(20(21)22)8-9-16(12)23-18(17,2)19(3)15-7-5-4-6-14(15)17/h4-10H,11H2,1-3H3
InChIKeyASAHHMWCBUCVJT-UHFFFAOYSA-N
XLogP3.65
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 4207675
5a,6,6-trimethyl-2-nitro-8-[2-[4-(2-phenylethenyl)phenyl]ethenyl]-12H-indolo[2,1-b][1,3]benzoxazine
CID 90895737
ethane;1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]
CID 157271788
17-nitro-6-phenyl-21-oxa-13-azapentacyclo[11.8.0.01,6.07,12.015,20]henicosa-7,9,11,15(20),16,18-hexaene
CID 102414874
(2S)-1',3',3'-trimethyl-7-nitrospiro[chromene-2,2'-indole]
CID 40636806
9,9,10-trimethyl-2-nitroacridine
CID 53253608
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CID 11011050
2,5-dinitro-3H-1-benzofuran-2-carboxylic acid
CID 152563895
2-but-3-enyl-2-methyl-5-nitro-3H-1-benzofuran
CID 102583772
N-[(2-methyl-5-nitro-3H-1-benzofuran-2-yl)methyl]-N-propylpropan-1-amine
CID 135004711
(2S)-1,2,3-trimethyl-5-nitro-2-phenylbenzimidazole
CID 7360618

Frequently Asked Questions

What is the IUPAC name of 5a,6,10b-trimethyl-2-nitro-11H-chromeno[2,3-b]indole?
The IUPAC name of 5a,6,10b-trimethyl-2-nitro-11H-chromeno[2,3-b]indole (CID 139243709) is 5a,6,10b-trimethyl-2-nitro-11H-chromeno[2,3-b]indole.
What is the SMILES notation for 5a,6,10b-trimethyl-2-nitro-11H-chromeno[2,3-b]indole?
The canonical SMILES for 5a,6,10b-trimethyl-2-nitro-11H-chromeno[2,3-b]indole is CN1c2ccccc2C2(C)Cc3cc([N+](=O)[O-])ccc3OC12C.
What is the InChIKey of 5a,6,10b-trimethyl-2-nitro-11H-chromeno[2,3-b]indole?
The InChIKey is ASAHHMWCBUCVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-17-11-12-10-13(20(21)22)8-9-16(12)23-18(17,2)19(3)15-7-5-4-6-14(15)17/h4-10H,11H2,1-3H3.
What are the key properties of 5a,6,10b-trimethyl-2-nitro-11H-chromeno[2,3-b]indole?
5a,6,10b-trimethyl-2-nitro-11H-chromeno[2,3-b]indole has a molecular weight of 310.35 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5a,6,10b-trimethyl-2-nitro-11H-chromeno[2,3-b]indole is sourced from PubChem (CID 139243709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).