N,N-di(cyclopenta-1,3-dien-1-yl)acetamide

C12H13NO — CID 12826858

IUPACN,N-di(cyclopenta-1,3-dien-1-yl)acetamide
SMILESCC(=O)N(C1=CC=CC1)C1=CC=CC1
InChIInChI=1S/C12H13NO/c1-10(14)13(11-6-2-3-7-11)12-8-4-5-9-12/h2-6,8H,7,9H2,1H3
InChIKeyPWOLKFZLTOSTBD-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.52
Rot. Bonds2

About N,N-di(cyclopenta-1,3-dien-1-yl)acetamide

N,N-di(cyclopenta-1,3-dien-1-yl)acetamide (PubChem CID 12826858) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is N,N-di(cyclopenta-1,3-dien-1-yl)acetamide.

Molecular Properties

Compound NameN,N-di(cyclopenta-1,3-dien-1-yl)acetamide
PubChem CID12826858
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC NameN,N-di(cyclopenta-1,3-dien-1-yl)acetamide
SMILESCC(=O)N(C1=CC=CC1)C1=CC=CC1
InChIInChI=1S/C12H13NO/c1-10(14)13(11-6-2-3-7-11)12-8-4-5-9-12/h2-6,8H,7,9H2,1H3
InChIKeyPWOLKFZLTOSTBD-UHFFFAOYSA-N
XLogP2.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-di(cyclopenta-1,3-dien-1-yl)acetamide?
The IUPAC name of N,N-di(cyclopenta-1,3-dien-1-yl)acetamide (CID 12826858) is N,N-di(cyclopenta-1,3-dien-1-yl)acetamide.
What is the SMILES notation for N,N-di(cyclopenta-1,3-dien-1-yl)acetamide?
The canonical SMILES for N,N-di(cyclopenta-1,3-dien-1-yl)acetamide is CC(=O)N(C1=CC=CC1)C1=CC=CC1.
What is the InChIKey of N,N-di(cyclopenta-1,3-dien-1-yl)acetamide?
The InChIKey is PWOLKFZLTOSTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-10(14)13(11-6-2-3-7-11)12-8-4-5-9-12/h2-6,8H,7,9H2,1H3.
What are the key properties of N,N-di(cyclopenta-1,3-dien-1-yl)acetamide?
N,N-di(cyclopenta-1,3-dien-1-yl)acetamide has a molecular weight of 187.24 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(cyclopenta-1,3-dien-1-yl)acetamide is sourced from PubChem (CID 12826858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).