1-cyclopenta-2,4-dien-1-ylideneethanamine

C7H9N — CID 572231

IUPAC1-cyclopenta-2,4-dien-1-ylideneethanamine
SMILESCC(N)=C1C=CC=C1
InChIInChI=1S/C7H9N/c1-6(8)7-4-2-3-5-7/h2-5H,8H2,1H3
InChIKeyNQMAZILNWHLNBW-UHFFFAOYSA-N
MW107.16 g/mol
LogP1.35
Rot. Bonds

About 1-cyclopenta-2,4-dien-1-ylideneethanamine

1-cyclopenta-2,4-dien-1-ylideneethanamine (PubChem CID 572231) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is 1-cyclopenta-2,4-dien-1-ylideneethanamine.

Molecular Properties

Compound Name1-cyclopenta-2,4-dien-1-ylideneethanamine
PubChem CID572231
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC Name1-cyclopenta-2,4-dien-1-ylideneethanamine
SMILESCC(N)=C1C=CC=C1
InChIInChI=1S/C7H9N/c1-6(8)7-4-2-3-5-7/h2-5H,8H2,1H3
InChIKeyNQMAZILNWHLNBW-UHFFFAOYSA-N
XLogP1.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.16
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Cyclopentadienyl amine
CID 12612979
Aminofulvene
CID 129652682
2-Propylidene allyl amine
CID 129776872
(3E,5Z)-4-fluorohepta-3,5-dien-3-amine
CID 129067297
(3E)-2-fluoro-4-methylhexa-3,5-dien-3-amine
CID 139473395
(3Z)-4-fluoro-2-methylhexa-1,3,5-trien-3-amine
CID 144080154
(2Z)-3-(fluoromethyl)-5-methylhexa-2,4-dien-2-amine
CID 144501901
(3Z)-4-fluoro-5-methylhexa-1,3,5-trien-3-amine
CID 144610893
(3E,5Z)-7-fluoro-3-methylocta-1,3,5-trien-4-amine
CID 144879737
(2Z)-3-fluoro-4-methylpenta-2,4-dien-2-amine
CID 145011966
(2Z,4E)-5-fluoro-3-methylhepta-2,4-dien-2-amine
CID 155056684
(2E,4E)-5-fluoro-4-methylhexa-2,4-dien-2-amine
CID 156489635

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-2,4-dien-1-ylideneethanamine?
The IUPAC name of 1-cyclopenta-2,4-dien-1-ylideneethanamine (CID 572231) is 1-cyclopenta-2,4-dien-1-ylideneethanamine.
What is the SMILES notation for 1-cyclopenta-2,4-dien-1-ylideneethanamine?
The canonical SMILES for 1-cyclopenta-2,4-dien-1-ylideneethanamine is CC(N)=C1C=CC=C1.
What is the InChIKey of 1-cyclopenta-2,4-dien-1-ylideneethanamine?
The InChIKey is NQMAZILNWHLNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N/c1-6(8)7-4-2-3-5-7/h2-5H,8H2,1H3.
What are the key properties of 1-cyclopenta-2,4-dien-1-ylideneethanamine?
1-cyclopenta-2,4-dien-1-ylideneethanamine has a molecular weight of 107.16 g/mol, XLogP of 1.35, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-2,4-dien-1-ylideneethanamine is sourced from PubChem (CID 572231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).