4-cyclopenta-2,4-dien-1-ylidene-4-(dimethylamino)-N,N-dimethylbutanamide

C13H20N2O — CID 134993704

IUPAC4-cyclopenta-2,4-dien-1-ylidene-4-(dimethylamino)-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCC(=C1C=CC=C1)N(C)C
InChIInChI=1S/C13H20N2O/c1-14(2)12(11-7-5-6-8-11)9-10-13(16)15(3)4/h5-8H,9-10H2,1-4H3
InChIKeyTXVQVQCXXMDVQH-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.80
Rot. Bonds4

About 4-cyclopenta-2,4-dien-1-ylidene-4-(dimethylamino)-N,N-dimethylbutanamide

4-cyclopenta-2,4-dien-1-ylidene-4-(dimethylamino)-N,N-dimethylbutanamide (PubChem CID 134993704) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-cyclopenta-2,4-dien-1-ylidene-4-(dimethylamino)-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-cyclopenta-2,4-dien-1-ylidene-4-(dimethylamino)-N,N-dimethylbutanamide
PubChem CID134993704
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name4-cyclopenta-2,4-dien-1-ylidene-4-(dimethylamino)-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCC(=C1C=CC=C1)N(C)C
InChIInChI=1S/C13H20N2O/c1-14(2)12(11-7-5-6-8-11)9-10-13(16)15(3)4/h5-8H,9-10H2,1-4H3
InChIKeyTXVQVQCXXMDVQH-UHFFFAOYSA-N
XLogP1.80
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopenta-2,4-dien-1-ylidene-4-(dimethylamino)-N,N-dimethylbutanamide?
The IUPAC name of 4-cyclopenta-2,4-dien-1-ylidene-4-(dimethylamino)-N,N-dimethylbutanamide (CID 134993704) is 4-cyclopenta-2,4-dien-1-ylidene-4-(dimethylamino)-N,N-dimethylbutanamide.
What is the SMILES notation for 4-cyclopenta-2,4-dien-1-ylidene-4-(dimethylamino)-N,N-dimethylbutanamide?
The canonical SMILES for 4-cyclopenta-2,4-dien-1-ylidene-4-(dimethylamino)-N,N-dimethylbutanamide is CN(C)C(=O)CCC(=C1C=CC=C1)N(C)C.
What is the InChIKey of 4-cyclopenta-2,4-dien-1-ylidene-4-(dimethylamino)-N,N-dimethylbutanamide?
The InChIKey is TXVQVQCXXMDVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-14(2)12(11-7-5-6-8-11)9-10-13(16)15(3)4/h5-8H,9-10H2,1-4H3.
What are the key properties of 4-cyclopenta-2,4-dien-1-ylidene-4-(dimethylamino)-N,N-dimethylbutanamide?
4-cyclopenta-2,4-dien-1-ylidene-4-(dimethylamino)-N,N-dimethylbutanamide has a molecular weight of 220.32 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopenta-2,4-dien-1-ylidene-4-(dimethylamino)-N,N-dimethylbutanamide is sourced from PubChem (CID 134993704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).