1-cyclopenta-2,4-dien-1-ylidene-N,N-dimethylethanamine

C9H13N — CID 585126

IUPAC1-cyclopenta-2,4-dien-1-ylidene-N,N-dimethylethanamine
SMILESCC(=C1C=CC=C1)N(C)C
InChIInChI=1S/C9H13N/c1-8(10(2)3)9-6-4-5-7-9/h4-7H,1-3H3
InChIKeyBPGXHDOZADSNLT-UHFFFAOYSA-N
MW135.21 g/mol
LogP1.95
Rot. Bonds1

About 1-cyclopenta-2,4-dien-1-ylidene-N,N-dimethylethanamine

1-cyclopenta-2,4-dien-1-ylidene-N,N-dimethylethanamine (PubChem CID 585126) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 1-cyclopenta-2,4-dien-1-ylidene-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-cyclopenta-2,4-dien-1-ylidene-N,N-dimethylethanamine
PubChem CID585126
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name1-cyclopenta-2,4-dien-1-ylidene-N,N-dimethylethanamine
SMILESCC(=C1C=CC=C1)N(C)C
InChIInChI=1S/C9H13N/c1-8(10(2)3)9-6-4-5-7-9/h4-7H,1-3H3
InChIKeyBPGXHDOZADSNLT-UHFFFAOYSA-N
XLogP1.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-2,4-dien-1-ylidene-N,N-dimethylethanamine?
The IUPAC name of 1-cyclopenta-2,4-dien-1-ylidene-N,N-dimethylethanamine (CID 585126) is 1-cyclopenta-2,4-dien-1-ylidene-N,N-dimethylethanamine.
What is the SMILES notation for 1-cyclopenta-2,4-dien-1-ylidene-N,N-dimethylethanamine?
The canonical SMILES for 1-cyclopenta-2,4-dien-1-ylidene-N,N-dimethylethanamine is CC(=C1C=CC=C1)N(C)C.
What is the InChIKey of 1-cyclopenta-2,4-dien-1-ylidene-N,N-dimethylethanamine?
The InChIKey is BPGXHDOZADSNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-8(10(2)3)9-6-4-5-7-9/h4-7H,1-3H3.
What are the key properties of 1-cyclopenta-2,4-dien-1-ylidene-N,N-dimethylethanamine?
1-cyclopenta-2,4-dien-1-ylidene-N,N-dimethylethanamine has a molecular weight of 135.21 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-2,4-dien-1-ylidene-N,N-dimethylethanamine is sourced from PubChem (CID 585126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).