cyclopenta-1,4-dien-1-amine

C5H7N — CID 12966521

IUPACcyclopenta-1,4-dien-1-amine
SMILESNC1=CCC=C1
InChIInChI=1S/C5H7N/c6-5-3-1-2-4-5/h1,3-4H,2,6H2
InChIKeyVZWBRWPUNRBPOZ-UHFFFAOYSA-N
MW81.12 g/mol
LogP0.79
Rot. Bonds

About cyclopenta-1,4-dien-1-amine

cyclopenta-1,4-dien-1-amine (PubChem CID 12966521) has the molecular formula C5H7N and a molecular weight of 81.12 g/mol. Its IUPAC name is cyclopenta-1,4-dien-1-amine.

Molecular Properties

Compound Namecyclopenta-1,4-dien-1-amine
PubChem CID12966521
Molecular FormulaC5H7N
Molecular Weight81.12 g/mol
Exact Mass81.06
IUPAC Namecyclopenta-1,4-dien-1-amine
SMILESNC1=CCC=C1
InChIInChI=1S/C5H7N/c6-5-3-1-2-4-5/h1,3-4H,2,6H2
InChIKeyVZWBRWPUNRBPOZ-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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Related Compounds

Cyclopentadienyl amine
CID 12612979
1,5-Cyclohexadienylamine
CID 20196055
Aminoferrocene, for HPLC derivatization, >=98.0% (T)
CID 91659113
Aminofulvene
CID 129652682
2-Propylidene allyl amine
CID 129776872
4-Fluorocyclohepta-1,3,6-trien-1-amine
CID 89134403
5-Fluorocyclohepta-1,4,6-trien-1-amine
CID 126660354
3-Fluorocyclohepta-1,3,6-trien-1-amine
CID 143312681
CID 10998045
CID 10998045
Cyclopenta-1,3-diene-1,2,3-triamine
CID 18426458
CID 18506062
CID 18506062
2-Phosphanylcyclopenta-1,4-dien-1-amine
CID 19089547

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,4-dien-1-amine?
The IUPAC name of cyclopenta-1,4-dien-1-amine (CID 12966521) is cyclopenta-1,4-dien-1-amine.
What is the SMILES notation for cyclopenta-1,4-dien-1-amine?
The canonical SMILES for cyclopenta-1,4-dien-1-amine is NC1=CCC=C1.
What is the InChIKey of cyclopenta-1,4-dien-1-amine?
The InChIKey is VZWBRWPUNRBPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N/c6-5-3-1-2-4-5/h1,3-4H,2,6H2.
What are the key properties of cyclopenta-1,4-dien-1-amine?
cyclopenta-1,4-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-1,4-dien-1-amine is sourced from PubChem (CID 12966521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).