2-[1-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)cyclopropyl]acetonitrile

C12H18N2 — CID 65494869

IUPAC2-[1-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)cyclopropyl]acetonitrile
SMILESN#CCC1(CN2CC3CCC2C3)CC1
InChIInChI=1S/C12H18N2/c13-6-5-12(3-4-12)9-14-8-10-1-2-11(14)7-10/h10-11H,1-5,7-9H2
InChIKeyGVXCVAJHUUARIP-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.16
Rot. Bonds3

About 2-[1-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)cyclopropyl]acetonitrile

2-[1-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)cyclopropyl]acetonitrile (PubChem CID 65494869) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-[1-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)cyclopropyl]acetonitrile
PubChem CID65494869
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name2-[1-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)cyclopropyl]acetonitrile
SMILESN#CCC1(CN2CC3CCC2C3)CC1
InChIInChI=1S/C12H18N2/c13-6-5-12(3-4-12)9-14-8-10-1-2-11(14)7-10/h10-11H,1-5,7-9H2
InChIKeyGVXCVAJHUUARIP-UHFFFAOYSA-N
XLogP2.16
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)cyclopropyl]acetonitrile (CID 65494869) is 2-[1-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)cyclopropyl]acetonitrile is N#CCC1(CN2CC3CCC2C3)CC1.
What is the InChIKey of 2-[1-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)cyclopropyl]acetonitrile?
The InChIKey is GVXCVAJHUUARIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c13-6-5-12(3-4-12)9-14-8-10-1-2-11(14)7-10/h10-11H,1-5,7-9H2.
What are the key properties of 2-[1-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)cyclopropyl]acetonitrile?
2-[1-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)cyclopropyl]acetonitrile has a molecular weight of 190.29 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)cyclopropyl]acetonitrile is sourced from PubChem (CID 65494869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).