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

C10H15N — CID 58619278

IUPAC(1S,5R)-3-ethylbicyclo[3.2.0]heptane-3-carbonitrile
SMILESCCC1(C#N)C[C@H]2CC[C@H]2C1
InChIInChI=1S/C10H15N/c1-2-10(7-11)5-8-3-4-9(8)6-10/h8-9H,2-6H2,1H3/t8-,9+,10?
InChIKeyQBKAAYHHNLYALU-ULKQDVFKSA-N
MW149.24 g/mol
LogP2.73
Rot. Bonds1

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

(1S,5R)-3-ethylbicyclo[3.2.0]heptane-3-carbonitrile (PubChem CID 58619278) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is (1S,5R)-3-ethylbicyclo[3.2.0]heptane-3-carbonitrile.

Molecular Properties

Compound Name(1S,5R)-3-ethylbicyclo[3.2.0]heptane-3-carbonitrile
PubChem CID58619278
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name(1S,5R)-3-ethylbicyclo[3.2.0]heptane-3-carbonitrile
SMILESCCC1(C#N)C[C@H]2CC[C@H]2C1
InChIInChI=1S/C10H15N/c1-2-10(7-11)5-8-3-4-9(8)6-10/h8-9H,2-6H2,1H3/t8-,9+,10?
InChIKeyQBKAAYHHNLYALU-ULKQDVFKSA-N
XLogP2.73
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-Bis(dicyanomethyl)-2-methylcyclopentane-1,1-dicarbonitrile
CID 134855916
3-Methylbicyclo[3.2.0]heptane-3-carbonitrile
CID 21024487
4-Ethyl-6-(2,2,3-trimethyl-cyclopentyl)-hexanenitrile
CID 25003474
4-Methyl-6-(2,2,3-trimethylcyclopentyl)hexanenitrile
CID 25003832
2-[(1R)-2,2,3,3-tetramethylcyclopentyl]acetonitrile
CID 58477004
2-[(1S)-2,2,3,3-tetramethylcyclopentyl]acetonitrile
CID 58477023
(1S,5R)-3-(cyanomethyl)-1,5-dimethylbicyclo[3.2.0]heptane-3-carbonitrile
CID 59060977
(1S,5R)-3-(cyanomethyl)bicyclo[3.2.0]heptane-3-carbonitrile
CID 59094050
(1R,5S)-bicyclo[3.2.0]heptane-3-carbonitrile
CID 59094053
2-(2,4,4-Trimethylcyclopentyl)-acetonitrile
CID 67065089
2-(2,4,4-Trimethylcyclopentyl)-propanenitrile
CID 67065300
2-[(1S,5R)-3-bicyclo[3.2.0]heptanyl]acetonitrile
CID 67558959

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-ethylbicyclo[3.2.0]heptane-3-carbonitrile?
The IUPAC name of (1S,5R)-3-ethylbicyclo[3.2.0]heptane-3-carbonitrile (CID 58619278) is (1S,5R)-3-ethylbicyclo[3.2.0]heptane-3-carbonitrile.
What is the SMILES notation for (1S,5R)-3-ethylbicyclo[3.2.0]heptane-3-carbonitrile?
The canonical SMILES for (1S,5R)-3-ethylbicyclo[3.2.0]heptane-3-carbonitrile is CCC1(C#N)C[C@H]2CC[C@H]2C1.
What is the InChIKey of (1S,5R)-3-ethylbicyclo[3.2.0]heptane-3-carbonitrile?
The InChIKey is QBKAAYHHNLYALU-ULKQDVFKSA-N. The full InChI is InChI=1S/C10H15N/c1-2-10(7-11)5-8-3-4-9(8)6-10/h8-9H,2-6H2,1H3/t8-,9+,10?.
What are the key properties of (1S,5R)-3-ethylbicyclo[3.2.0]heptane-3-carbonitrile?
(1S,5R)-3-ethylbicyclo[3.2.0]heptane-3-carbonitrile has a molecular weight of 149.24 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-ethylbicyclo[3.2.0]heptane-3-carbonitrile is sourced from PubChem (CID 58619278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).