1-cyclohexa-1,5-dien-1-ylcyclopropane-1-carbonitrile

C10H11N — CID 149201129

IUPAC1-cyclohexa-1,5-dien-1-ylcyclopropane-1-carbonitrile
SMILESN#CC1(C2=CCCC=C2)CC1
InChIInChI=1S/C10H11N/c11-8-10(6-7-10)9-4-2-1-3-5-9/h2,4-5H,1,3,6-7H2
InChIKeyXESFCOKJIVUNQM-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.57
Rot. Bonds1

About 1-cyclohexa-1,5-dien-1-ylcyclopropane-1-carbonitrile

1-cyclohexa-1,5-dien-1-ylcyclopropane-1-carbonitrile (PubChem CID 149201129) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-ylcyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-ylcyclopropane-1-carbonitrile
PubChem CID149201129
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name1-cyclohexa-1,5-dien-1-ylcyclopropane-1-carbonitrile
SMILESN#CC1(C2=CCCC=C2)CC1
InChIInChI=1S/C10H11N/c11-8-10(6-7-10)9-4-2-1-3-5-9/h2,4-5H,1,3,6-7H2
InChIKeyXESFCOKJIVUNQM-UHFFFAOYSA-N
XLogP2.57
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-ylcyclopropane-1-carbonitrile?
The IUPAC name of 1-cyclohexa-1,5-dien-1-ylcyclopropane-1-carbonitrile (CID 149201129) is 1-cyclohexa-1,5-dien-1-ylcyclopropane-1-carbonitrile.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-ylcyclopropane-1-carbonitrile?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-ylcyclopropane-1-carbonitrile is N#CC1(C2=CCCC=C2)CC1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-ylcyclopropane-1-carbonitrile?
The InChIKey is XESFCOKJIVUNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c11-8-10(6-7-10)9-4-2-1-3-5-9/h2,4-5H,1,3,6-7H2.
What are the key properties of 1-cyclohexa-1,5-dien-1-ylcyclopropane-1-carbonitrile?
1-cyclohexa-1,5-dien-1-ylcyclopropane-1-carbonitrile has a molecular weight of 145.20 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-ylcyclopropane-1-carbonitrile is sourced from PubChem (CID 149201129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).