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

C11H17N — CID 45088785

IUPAC1-cyclopenta-2,4-dien-1-ylidene-N,N-diethylethanamine
SMILESCCN(CC)C(C)=C1C=CC=C1
InChIInChI=1S/C11H17N/c1-4-12(5-2)10(3)11-8-6-7-9-11/h6-9H,4-5H2,1-3H3
InChIKeyCNKWVIQDOJCKJJ-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.73
Rot. Bonds3

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

1-cyclopenta-2,4-dien-1-ylidene-N,N-diethylethanamine (PubChem CID 45088785) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 1-cyclopenta-2,4-dien-1-ylidene-N,N-diethylethanamine.

Molecular Properties

Compound Name1-cyclopenta-2,4-dien-1-ylidene-N,N-diethylethanamine
PubChem CID45088785
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name1-cyclopenta-2,4-dien-1-ylidene-N,N-diethylethanamine
SMILESCCN(CC)C(C)=C1C=CC=C1
InChIInChI=1S/C11H17N/c1-4-12(5-2)10(3)11-8-6-7-9-11/h6-9H,4-5H2,1-3H3
InChIKeyCNKWVIQDOJCKJJ-UHFFFAOYSA-N
XLogP2.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.73
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-diethylethanamine?
The IUPAC name of 1-cyclopenta-2,4-dien-1-ylidene-N,N-diethylethanamine (CID 45088785) is 1-cyclopenta-2,4-dien-1-ylidene-N,N-diethylethanamine.
What is the SMILES notation for 1-cyclopenta-2,4-dien-1-ylidene-N,N-diethylethanamine?
The canonical SMILES for 1-cyclopenta-2,4-dien-1-ylidene-N,N-diethylethanamine is CCN(CC)C(C)=C1C=CC=C1.
What is the InChIKey of 1-cyclopenta-2,4-dien-1-ylidene-N,N-diethylethanamine?
The InChIKey is CNKWVIQDOJCKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-4-12(5-2)10(3)11-8-6-7-9-11/h6-9H,4-5H2,1-3H3.
What are the key properties of 1-cyclopenta-2,4-dien-1-ylidene-N,N-diethylethanamine?
1-cyclopenta-2,4-dien-1-ylidene-N,N-diethylethanamine has a molecular weight of 163.26 g/mol, XLogP of 2.73, 3 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-diethylethanamine is sourced from PubChem (CID 45088785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).