7-methoxyindolizine-1-carbonitrile

C10H8N2O — CID 58056703

IUPAC7-methoxyindolizine-1-carbonitrile
SMILESCOc1ccn2ccc(C#N)c2c1
InChIInChI=1S/C10H8N2O/c1-13-9-3-5-12-4-2-8(7-11)10(12)6-9/h2-6H,1H3
InChIKeyOCELZFJAOWJYKF-UHFFFAOYSA-N
MW172.19 g/mol
LogP1.82
Rot. Bonds1

About 7-methoxyindolizine-1-carbonitrile

7-methoxyindolizine-1-carbonitrile (PubChem CID 58056703) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is 7-methoxyindolizine-1-carbonitrile.

Molecular Properties

Compound Name7-methoxyindolizine-1-carbonitrile
PubChem CID58056703
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name7-methoxyindolizine-1-carbonitrile
SMILESCOc1ccn2ccc(C#N)c2c1
InChIInChI=1S/C10H8N2O/c1-13-9-3-5-12-4-2-8(7-11)10(12)6-9/h2-6H,1H3
InChIKeyOCELZFJAOWJYKF-UHFFFAOYSA-N
XLogP1.82
TPSA37.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-1-propan-2-ylindolizine
CID 130328073
2-ethynyl-5-methoxybenzonitrile
CID 166529929
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CID 81297511
7-methoxy-9-methylcarbazole-2-carbonitrile
CID 10847401
2-(aminomethyl)-4-methoxybenzonitrile
CID 22464511
3-cyano-1-(3-methoxyphenyl)pyrrole-2-carboxylic acid
CID 42748058
1-butyl-6-methoxyindole-3-carbonitrile
CID 59425246
2-[(1S)-1-aminopropyl]-4-methoxybenzonitrile
CID 130744260
5-(7-methoxyindolizin-1-yl)-2,4-dimethyl-1,3-oxazole
CID 169203032
N-ethyl-1-(7-methoxyindolizin-1-yl)-N-methylpropan-2-amine
CID 169203165
2-(cyanomethylamino)-5-methoxybenzonitrile
CID 86711312
4-methoxy-2-[(E)-2-methoxyethenyl]benzonitrile
CID 101247472

Frequently Asked Questions

What is the IUPAC name of 7-methoxyindolizine-1-carbonitrile?
The IUPAC name of 7-methoxyindolizine-1-carbonitrile (CID 58056703) is 7-methoxyindolizine-1-carbonitrile.
What is the SMILES notation for 7-methoxyindolizine-1-carbonitrile?
The canonical SMILES for 7-methoxyindolizine-1-carbonitrile is COc1ccn2ccc(C#N)c2c1.
What is the InChIKey of 7-methoxyindolizine-1-carbonitrile?
The InChIKey is OCELZFJAOWJYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O/c1-13-9-3-5-12-4-2-8(7-11)10(12)6-9/h2-6H,1H3.
What are the key properties of 7-methoxyindolizine-1-carbonitrile?
7-methoxyindolizine-1-carbonitrile has a molecular weight of 172.19 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxyindolizine-1-carbonitrile is sourced from PubChem (CID 58056703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).