(1R,5S)-bicyclo[3.2.0]heptane-3-carbonitrile

C8H11N — CID 59094053

IUPAC(1R,5S)-bicyclo[3.2.0]heptane-3-carbonitrile
SMILESN#CC1C[C@H]2CC[C@H]2C1
InChIInChI=1S/C8H11N/c9-5-6-3-7-1-2-8(7)4-6/h6-8H,1-4H2/t6?,7-,8+
InChIKeyTWJPNLIFVAPMNJ-IEESLHIDSA-N
MW121.18 g/mol
LogP1.95
Rot. Bonds

About (1R,5S)-bicyclo[3.2.0]heptane-3-carbonitrile

(1R,5S)-bicyclo[3.2.0]heptane-3-carbonitrile (PubChem CID 59094053) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is (1R,5S)-bicyclo[3.2.0]heptane-3-carbonitrile.

Molecular Properties

Compound Name(1R,5S)-bicyclo[3.2.0]heptane-3-carbonitrile
PubChem CID59094053
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name(1R,5S)-bicyclo[3.2.0]heptane-3-carbonitrile
SMILESN#CC1C[C@H]2CC[C@H]2C1
InChIInChI=1S/C8H11N/c9-5-6-3-7-1-2-8(7)4-6/h6-8H,1-4H2/t6?,7-,8+
InChIKeyTWJPNLIFVAPMNJ-IEESLHIDSA-N
XLogP1.95
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1R,5S)-bicyclo[3.2.0]heptane-3-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-bicyclo[3.2.0]heptane-3-carbonitrile?
The IUPAC name of (1R,5S)-bicyclo[3.2.0]heptane-3-carbonitrile (CID 59094053) is (1R,5S)-bicyclo[3.2.0]heptane-3-carbonitrile.
What is the SMILES notation for (1R,5S)-bicyclo[3.2.0]heptane-3-carbonitrile?
The canonical SMILES for (1R,5S)-bicyclo[3.2.0]heptane-3-carbonitrile is N#CC1C[C@H]2CC[C@H]2C1.
What is the InChIKey of (1R,5S)-bicyclo[3.2.0]heptane-3-carbonitrile?
The InChIKey is TWJPNLIFVAPMNJ-IEESLHIDSA-N. The full InChI is InChI=1S/C8H11N/c9-5-6-3-7-1-2-8(7)4-6/h6-8H,1-4H2/t6?,7-,8+.
What are the key properties of (1R,5S)-bicyclo[3.2.0]heptane-3-carbonitrile?
(1R,5S)-bicyclo[3.2.0]heptane-3-carbonitrile has a molecular weight of 121.18 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-bicyclo[3.2.0]heptane-3-carbonitrile is sourced from PubChem (CID 59094053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).