2-(8-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)acetonitrile

C14H16N2O — CID 15662355

IUPAC2-(8-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)acetonitrile
SMILESCOc1cccc2c1C1CN(CC#N)CC1C2
InChIInChI=1S/C14H16N2O/c1-17-13-4-2-3-10-7-11-8-16(6-5-15)9-12(11)14(10)13/h2-4,11-12H,6-9H2,1H3
InChIKeyCYLMSASBGKKABH-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.79
Rot. Bonds2

About 2-(8-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)acetonitrile

2-(8-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)acetonitrile (PubChem CID 15662355) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(8-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(8-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)acetonitrile
PubChem CID15662355
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name2-(8-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)acetonitrile
SMILESCOc1cccc2c1C1CN(CC#N)CC1C2
InChIInChI=1S/C14H16N2O/c1-17-13-4-2-3-10-7-11-8-16(6-5-15)9-12(11)14(10)13/h2-4,11-12H,6-9H2,1H3
InChIKeyCYLMSASBGKKABH-UHFFFAOYSA-N
XLogP1.79
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(8-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3aS,9bS)-9-methoxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl]acetonitrile
CID 22869353
8-methoxy-2-propyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole;hydrochloride
CID 67755038
(4aS,9aR)-2-benzyl-5-methoxy-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridine
CID 14975313
8-[5-(8-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)pentyl]-8-azaspiro[4.5]decane-7,9-dione
CID 15662368
(1S,7R)-4-[4-[(4aS,9aR)-5-methoxy-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridin-2-yl]butyl]-4-azatetracyclo[5.4.2.02,6.08,11]trideca-9,12-diene-3,5-dione
CID 10027192
N-[2-[(4aS,9aR)-5-methoxy-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridin-2-yl]ethyl]-4-fluorobenzamide;hydrochloride
CID 67754305
8-[4-[(3aS,9bR)-9-methoxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride
CID 18646950
2-(methoxymethoxy)-1,1a,6,6a-tetrahydrocyclopropa[a]indene
CID 57457859
5-[(3aS,9bR)-9-methoxy-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]pentan-1-amine
CID 21309088
9-methoxy-2-[(1S)-1-phenylethyl]-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole
CID 67855960
1-(5-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)cyclopropan-1-amine
CID 105443737
(4aR,9aR)-5-methoxy-2-propyl-4,4a,9,9a-tetrahydroindeno[2,1-c]pyridine-1,3-dione
CID 10061844

Frequently Asked Questions

What is the IUPAC name of 2-(8-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)acetonitrile?
The IUPAC name of 2-(8-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)acetonitrile (CID 15662355) is 2-(8-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)acetonitrile.
What is the SMILES notation for 2-(8-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)acetonitrile?
The canonical SMILES for 2-(8-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)acetonitrile is COc1cccc2c1C1CN(CC#N)CC1C2.
What is the InChIKey of 2-(8-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)acetonitrile?
The InChIKey is CYLMSASBGKKABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-17-13-4-2-3-10-7-11-8-16(6-5-15)9-12(11)14(10)13/h2-4,11-12H,6-9H2,1H3.
What are the key properties of 2-(8-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)acetonitrile?
2-(8-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)acetonitrile has a molecular weight of 228.29 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)acetonitrile is sourced from PubChem (CID 15662355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).