1-cyclopenta-1,3-dien-1-ylethanamine

C7H11N — CID 12564939

IUPAC1-cyclopenta-1,3-dien-1-ylethanamine
SMILESCC(N)C1=CC=CC1
InChIInChI=1S/C7H11N/c1-6(8)7-4-2-3-5-7/h2-4,6H,5,8H2,1H3
InChIKeyOGOOSRYXMPWGRN-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.22
Rot. Bonds1

About 1-cyclopenta-1,3-dien-1-ylethanamine

1-cyclopenta-1,3-dien-1-ylethanamine (PubChem CID 12564939) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 1-cyclopenta-1,3-dien-1-ylethanamine.

Molecular Properties

Compound Name1-cyclopenta-1,3-dien-1-ylethanamine
PubChem CID12564939
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name1-cyclopenta-1,3-dien-1-ylethanamine
SMILESCC(N)C1=CC=CC1
InChIInChI=1S/C7H11N/c1-6(8)7-4-2-3-5-7/h2-4,6H,5,8H2,1H3
InChIKeyOGOOSRYXMPWGRN-UHFFFAOYSA-N
XLogP1.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-1,3-dien-1-ylethanamine?
The IUPAC name of 1-cyclopenta-1,3-dien-1-ylethanamine (CID 12564939) is 1-cyclopenta-1,3-dien-1-ylethanamine.
What is the SMILES notation for 1-cyclopenta-1,3-dien-1-ylethanamine?
The canonical SMILES for 1-cyclopenta-1,3-dien-1-ylethanamine is CC(N)C1=CC=CC1.
What is the InChIKey of 1-cyclopenta-1,3-dien-1-ylethanamine?
The InChIKey is OGOOSRYXMPWGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-6(8)7-4-2-3-5-7/h2-4,6H,5,8H2,1H3.
What are the key properties of 1-cyclopenta-1,3-dien-1-ylethanamine?
1-cyclopenta-1,3-dien-1-ylethanamine has a molecular weight of 109.17 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-1,3-dien-1-ylethanamine is sourced from PubChem (CID 12564939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).