4,4-di(cyclopenta-1,3-dien-1-yl)pentanamide

C15H19NO — CID 157445420

IUPAC4,4-di(cyclopenta-1,3-dien-1-yl)pentanamide
SMILESCC(CCC(N)=O)(C1=CC=CC1)C1=CC=CC1
InChIInChI=1S/C15H19NO/c1-15(11-10-14(16)17,12-6-2-3-7-12)13-8-4-5-9-13/h2-6,8H,7,9-11H2,1H3,(H2,16,17)
InChIKeyINFDREPHVLAFAT-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.03
Rot. Bonds5

About 4,4-di(cyclopenta-1,3-dien-1-yl)pentanamide

4,4-di(cyclopenta-1,3-dien-1-yl)pentanamide (PubChem CID 157445420) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 4,4-di(cyclopenta-1,3-dien-1-yl)pentanamide.

Molecular Properties

Compound Name4,4-di(cyclopenta-1,3-dien-1-yl)pentanamide
PubChem CID157445420
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name4,4-di(cyclopenta-1,3-dien-1-yl)pentanamide
SMILESCC(CCC(N)=O)(C1=CC=CC1)C1=CC=CC1
InChIInChI=1S/C15H19NO/c1-15(11-10-14(16)17,12-6-2-3-7-12)13-8-4-5-9-13/h2-6,8H,7,9-11H2,1H3,(H2,16,17)
InChIKeyINFDREPHVLAFAT-UHFFFAOYSA-N
XLogP3.03
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-di(cyclopenta-1,3-dien-1-yl)pentanamide?
The IUPAC name of 4,4-di(cyclopenta-1,3-dien-1-yl)pentanamide (CID 157445420) is 4,4-di(cyclopenta-1,3-dien-1-yl)pentanamide.
What is the SMILES notation for 4,4-di(cyclopenta-1,3-dien-1-yl)pentanamide?
The canonical SMILES for 4,4-di(cyclopenta-1,3-dien-1-yl)pentanamide is CC(CCC(N)=O)(C1=CC=CC1)C1=CC=CC1.
What is the InChIKey of 4,4-di(cyclopenta-1,3-dien-1-yl)pentanamide?
The InChIKey is INFDREPHVLAFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-15(11-10-14(16)17,12-6-2-3-7-12)13-8-4-5-9-13/h2-6,8H,7,9-11H2,1H3,(H2,16,17).
What are the key properties of 4,4-di(cyclopenta-1,3-dien-1-yl)pentanamide?
4,4-di(cyclopenta-1,3-dien-1-yl)pentanamide has a molecular weight of 229.32 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-di(cyclopenta-1,3-dien-1-yl)pentanamide is sourced from PubChem (CID 157445420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).