2-[1-(indol-1-ylmethyl)cyclopropyl]acetonitrile

C14H14N2 — CID 65497881

IUPAC2-[1-(indol-1-ylmethyl)cyclopropyl]acetonitrile
SMILESN#CCC1(Cn2ccc3ccccc32)CC1
InChIInChI=1S/C14H14N2/c15-9-8-14(6-7-14)11-16-10-5-12-3-1-2-4-13(12)16/h1-5,10H,6-8,11H2
InChIKeyCCWOXPMYVZTQIP-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.34
Rot. Bonds3

About 2-[1-(indol-1-ylmethyl)cyclopropyl]acetonitrile

2-[1-(indol-1-ylmethyl)cyclopropyl]acetonitrile (PubChem CID 65497881) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[1-(indol-1-ylmethyl)cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-(indol-1-ylmethyl)cyclopropyl]acetonitrile
PubChem CID65497881
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name2-[1-(indol-1-ylmethyl)cyclopropyl]acetonitrile
SMILESN#CCC1(Cn2ccc3ccccc32)CC1
InChIInChI=1S/C14H14N2/c15-9-8-14(6-7-14)11-16-10-5-12-3-1-2-4-13(12)16/h1-5,10H,6-8,11H2
InChIKeyCCWOXPMYVZTQIP-UHFFFAOYSA-N
XLogP3.34
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(indol-1-ylmethyl)cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-(indol-1-ylmethyl)cyclopropyl]acetonitrile (CID 65497881) is 2-[1-(indol-1-ylmethyl)cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-(indol-1-ylmethyl)cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-(indol-1-ylmethyl)cyclopropyl]acetonitrile is N#CCC1(Cn2ccc3ccccc32)CC1.
What is the InChIKey of 2-[1-(indol-1-ylmethyl)cyclopropyl]acetonitrile?
The InChIKey is CCWOXPMYVZTQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c15-9-8-14(6-7-14)11-16-10-5-12-3-1-2-4-13(12)16/h1-5,10H,6-8,11H2.
What are the key properties of 2-[1-(indol-1-ylmethyl)cyclopropyl]acetonitrile?
2-[1-(indol-1-ylmethyl)cyclopropyl]acetonitrile has a molecular weight of 210.28 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(indol-1-ylmethyl)cyclopropyl]acetonitrile is sourced from PubChem (CID 65497881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).