cyclopenta-1,3-dien-1-amine

C5H7N — CID 12612979

IUPACcyclopenta-1,3-dien-1-amine
SMILESNC1=CC=CC1
InChIInChI=1S/C5H7N/c6-5-3-1-2-4-5/h1-3H,4,6H2
InChIKeyCUDHJPVCKNSWGO-UHFFFAOYSA-N
MW81.12 g/mol
LogP0.79
Rot. Bonds

About cyclopenta-1,3-dien-1-amine

cyclopenta-1,3-dien-1-amine (PubChem CID 12612979) has the molecular formula C5H7N and a molecular weight of 81.12 g/mol. Its IUPAC name is cyclopenta-1,3-dien-1-amine.

Molecular Properties

Compound Namecyclopenta-1,3-dien-1-amine
PubChem CID12612979
Molecular FormulaC5H7N
Molecular Weight81.12 g/mol
Exact Mass81.06
IUPAC Namecyclopenta-1,3-dien-1-amine
SMILESNC1=CC=CC1
InChIInChI=1S/C5H7N/c6-5-3-1-2-4-5/h1-3H,4,6H2
InChIKeyCUDHJPVCKNSWGO-UHFFFAOYSA-N
XLogP0.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50081.12
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-dien-1-amine?
The IUPAC name of cyclopenta-1,3-dien-1-amine (CID 12612979) is cyclopenta-1,3-dien-1-amine.
What is the SMILES notation for cyclopenta-1,3-dien-1-amine?
The canonical SMILES for cyclopenta-1,3-dien-1-amine is NC1=CC=CC1.
What is the InChIKey of cyclopenta-1,3-dien-1-amine?
The InChIKey is CUDHJPVCKNSWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N/c6-5-3-1-2-4-5/h1-3H,4,6H2.
What are the key properties of cyclopenta-1,3-dien-1-amine?
cyclopenta-1,3-dien-1-amine has a molecular weight of 81.12 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-dien-1-amine is sourced from PubChem (CID 12612979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).