3-ethylbicyclo[3.2.0]heptane-3-carbonitrile

C10H15N — CID 21024484

IUPAC3-ethylbicyclo[3.2.0]heptane-3-carbonitrile
SMILESCCC1(C#N)CC2CCC2C1
InChIInChI=1S/C10H15N/c1-2-10(7-11)5-8-3-4-9(8)6-10/h8-9H,2-6H2,1H3
InChIKeyQBKAAYHHNLYALU-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.73
Rot. Bonds1

About 3-ethylbicyclo[3.2.0]heptane-3-carbonitrile

3-ethylbicyclo[3.2.0]heptane-3-carbonitrile (PubChem CID 21024484) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 3-ethylbicyclo[3.2.0]heptane-3-carbonitrile.

Molecular Properties

Compound Name3-ethylbicyclo[3.2.0]heptane-3-carbonitrile
PubChem CID21024484
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name3-ethylbicyclo[3.2.0]heptane-3-carbonitrile
SMILESCCC1(C#N)CC2CCC2C1
InChIInChI=1S/C10H15N/c1-2-10(7-11)5-8-3-4-9(8)6-10/h8-9H,2-6H2,1H3
InChIKeyQBKAAYHHNLYALU-UHFFFAOYSA-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

3-(cyanomethyl)bicyclo[3.2.0]heptane-3-carbonitrile
CID 21358766
(2S,4aR,6S)-6-butyl-2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalene-2-carbonitrile
CID 18603424
2-ethyl-6-pentyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalene-2-carbonitrile
CID 23311892
1-ethylcyclopentane-1-carbonitrile
CID 12859571
1-ethyl-4-propylcyclohexane-1-carbonitrile
CID 65425800
6-butyl-2-pentyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalene-2-carbonitrile
CID 23311870
(2S,4aR,6S)-2,6-dipentyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalene-2-carbonitrile
CID 18603412
(2S,4aR,6S)-2-heptyl-6-pentyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalene-2-carbonitrile
CID 18603436
(2R,4aR,6R)-2-heptyl-6-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalene-2-carbonitrile
CID 56638128
(2S,4aR,6S)-6-hexyl-2-pentyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalene-2-carbonitrile
CID 18603464
1-heptyl-3-(4-hexylcyclohexyl)cyclohexane-1-carbonitrile
CID 23041602
(2S,4aR,6S)-6-butyl-2-heptyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalene-2-carbonitrile
CID 18603434

Frequently Asked Questions

What is the IUPAC name of 3-ethylbicyclo[3.2.0]heptane-3-carbonitrile?
The IUPAC name of 3-ethylbicyclo[3.2.0]heptane-3-carbonitrile (CID 21024484) is 3-ethylbicyclo[3.2.0]heptane-3-carbonitrile.
What is the SMILES notation for 3-ethylbicyclo[3.2.0]heptane-3-carbonitrile?
The canonical SMILES for 3-ethylbicyclo[3.2.0]heptane-3-carbonitrile is CCC1(C#N)CC2CCC2C1.
What is the InChIKey of 3-ethylbicyclo[3.2.0]heptane-3-carbonitrile?
The InChIKey is QBKAAYHHNLYALU-UHFFFAOYSA-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.
What are the key properties of 3-ethylbicyclo[3.2.0]heptane-3-carbonitrile?
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 3-ethylbicyclo[3.2.0]heptane-3-carbonitrile is sourced from PubChem (CID 21024484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).