7-methoxy-3-nitroso-1,2,3,4-tetrahydrocyclopenta[b]indole

C12H12N2O2 — CID 54166241

IUPAC7-methoxy-3-nitroso-1,2,3,4-tetrahydrocyclopenta[b]indole
SMILESCOc1ccc2[nH]c3c(c2c1)CCC3N=O
InChIInChI=1S/C12H12N2O2/c1-16-7-2-4-10-9(6-7)8-3-5-11(14-15)12(8)13-10/h2,4,6,11,13H,3,5H2,1H3
InChIKeyORVHCQFLKLMSNJ-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.93
Rot. Bonds2

About 7-methoxy-3-nitroso-1,2,3,4-tetrahydrocyclopenta[b]indole

7-methoxy-3-nitroso-1,2,3,4-tetrahydrocyclopenta[b]indole (PubChem CID 54166241) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 7-methoxy-3-nitroso-1,2,3,4-tetrahydrocyclopenta[b]indole.

Molecular Properties

Compound Name7-methoxy-3-nitroso-1,2,3,4-tetrahydrocyclopenta[b]indole
PubChem CID54166241
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name7-methoxy-3-nitroso-1,2,3,4-tetrahydrocyclopenta[b]indole
SMILESCOc1ccc2[nH]c3c(c2c1)CCC3N=O
InChIInChI=1S/C12H12N2O2/c1-16-7-2-4-10-9(6-7)8-3-5-11(14-15)12(8)13-10/h2,4,6,11,13H,3,5H2,1H3
InChIKeyORVHCQFLKLMSNJ-UHFFFAOYSA-N
XLogP2.93
TPSA54.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-[(3R)-7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetic acid
CID 170699545
methyl (1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate
CID 7055191
6-chloro-1-nitroso-2,3,4,9-tetrahydro-1H-carbazole
CID 90770100
6-methoxy-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 3337812
2-methoxy-7,8,9,10-tetrahydro-5H-cyclohepta[b]indol-6-one
CID 12673419
13-methoxy-5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11(16),12,14-tetraene-4,6-dione
CID 18794211
(2S,3S,8S)-16-methoxy-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),14(19),15,17-tetraene
CID 6352277
7-methoxy-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraene
CID 164872491
(1R)-6-methoxy-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium
CID 6955622
2-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]acetic acid
CID 7038452
acetic acid;6-methoxy-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 52993556
6-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole;hydrochloride
CID 135534458

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-nitroso-1,2,3,4-tetrahydrocyclopenta[b]indole?
The IUPAC name of 7-methoxy-3-nitroso-1,2,3,4-tetrahydrocyclopenta[b]indole (CID 54166241) is 7-methoxy-3-nitroso-1,2,3,4-tetrahydrocyclopenta[b]indole.
What is the SMILES notation for 7-methoxy-3-nitroso-1,2,3,4-tetrahydrocyclopenta[b]indole?
The canonical SMILES for 7-methoxy-3-nitroso-1,2,3,4-tetrahydrocyclopenta[b]indole is COc1ccc2[nH]c3c(c2c1)CCC3N=O.
What is the InChIKey of 7-methoxy-3-nitroso-1,2,3,4-tetrahydrocyclopenta[b]indole?
The InChIKey is ORVHCQFLKLMSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-16-7-2-4-10-9(6-7)8-3-5-11(14-15)12(8)13-10/h2,4,6,11,13H,3,5H2,1H3.
What are the key properties of 7-methoxy-3-nitroso-1,2,3,4-tetrahydrocyclopenta[b]indole?
7-methoxy-3-nitroso-1,2,3,4-tetrahydrocyclopenta[b]indole has a molecular weight of 216.24 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-nitroso-1,2,3,4-tetrahydrocyclopenta[b]indole is sourced from PubChem (CID 54166241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).