1-[(1R)-cyclohexa-2,4-dien-1-yl]azetidine-3-carbonitrile

C10H12N2 — CID 97049665

IUPAC1-[(1R)-cyclohexa-2,4-dien-1-yl]azetidine-3-carbonitrile
SMILESN#CC1CN([C@H]2C=CC=CC2)C1
InChIInChI=1S/C10H12N2/c11-6-9-7-12(8-9)10-4-2-1-3-5-10/h1-4,9-10H,5,7-8H2/t10-/m0/s1
InChIKeyVZTPSCQPWCWKET-JTQLQIEISA-N
MW160.22 g/mol
LogP1.33
Rot. Bonds1

About 1-[(1R)-cyclohexa-2,4-dien-1-yl]azetidine-3-carbonitrile

1-[(1R)-cyclohexa-2,4-dien-1-yl]azetidine-3-carbonitrile (PubChem CID 97049665) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 1-[(1R)-cyclohexa-2,4-dien-1-yl]azetidine-3-carbonitrile.

Molecular Properties

Compound Name1-[(1R)-cyclohexa-2,4-dien-1-yl]azetidine-3-carbonitrile
PubChem CID97049665
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name1-[(1R)-cyclohexa-2,4-dien-1-yl]azetidine-3-carbonitrile
SMILESN#CC1CN([C@H]2C=CC=CC2)C1
InChIInChI=1S/C10H12N2/c11-6-9-7-12(8-9)10-4-2-1-3-5-10/h1-4,9-10H,5,7-8H2/t10-/m0/s1
InChIKeyVZTPSCQPWCWKET-JTQLQIEISA-N
XLogP1.33
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexa-2,4-dien-1-ylpiperazine
CID 71775128
(1S)-cyclohexa-2,4-diene-1-carbonitrile
CID 12679824
1-[(1S)-cyclohexa-2,4-dien-1-yl]-2,4-dimethyl-1,2,4-triazolidine-3,5-dione
CID 163304623
3-cyclohexa-2,4-dien-1-yl-2,4-dihydro-1,3-benzoxazine;methane
CID 175498105
2-cyclohexa-2,4-dien-1-ylbenzotriazole
CID 163963893
(3S)-1-piperidin-4-ylpiperidine-3-carbonitrile
CID 118533847
1-(2-bromoethyl)azetidine-3-carbonitrile
CID 118627668
cyclohex-4-ene-1,3-dicarbonitrile
CID 19751217
2-cyclohexa-2,4-dien-1-yl-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 163950636
CID 173079776
CID 173079776
4,4a,5,9a-tetrahydro-3H-cyclohepta[b]pyridine-3-carbonitrile
CID 90042649
1-nitrosoazetidine-3-carbonitrile
CID 175679029

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-cyclohexa-2,4-dien-1-yl]azetidine-3-carbonitrile?
The IUPAC name of 1-[(1R)-cyclohexa-2,4-dien-1-yl]azetidine-3-carbonitrile (CID 97049665) is 1-[(1R)-cyclohexa-2,4-dien-1-yl]azetidine-3-carbonitrile.
What is the SMILES notation for 1-[(1R)-cyclohexa-2,4-dien-1-yl]azetidine-3-carbonitrile?
The canonical SMILES for 1-[(1R)-cyclohexa-2,4-dien-1-yl]azetidine-3-carbonitrile is N#CC1CN([C@H]2C=CC=CC2)C1.
What is the InChIKey of 1-[(1R)-cyclohexa-2,4-dien-1-yl]azetidine-3-carbonitrile?
The InChIKey is VZTPSCQPWCWKET-JTQLQIEISA-N. The full InChI is InChI=1S/C10H12N2/c11-6-9-7-12(8-9)10-4-2-1-3-5-10/h1-4,9-10H,5,7-8H2/t10-/m0/s1.
What are the key properties of 1-[(1R)-cyclohexa-2,4-dien-1-yl]azetidine-3-carbonitrile?
1-[(1R)-cyclohexa-2,4-dien-1-yl]azetidine-3-carbonitrile has a molecular weight of 160.22 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-cyclohexa-2,4-dien-1-yl]azetidine-3-carbonitrile is sourced from PubChem (CID 97049665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).