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

C11H11NO — CID 22486733

IUPACN,N-di(cyclopenta-1,3-dien-1-yl)formamide
SMILESO=CN(C1=CC=CC1)C1=CC=CC1
InChIInChI=1S/C11H11NO/c13-9-12(10-5-1-2-6-10)11-7-3-4-8-11/h1-5,7,9H,6,8H2
InChIKeyPRAREEHLGTXFIK-UHFFFAOYSA-N
MW173.22 g/mol
LogP2.13
Rot. Bonds3

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

N,N-di(cyclopenta-1,3-dien-1-yl)formamide (PubChem CID 22486733) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is N,N-di(cyclopenta-1,3-dien-1-yl)formamide.

Molecular Properties

Compound NameN,N-di(cyclopenta-1,3-dien-1-yl)formamide
PubChem CID22486733
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC NameN,N-di(cyclopenta-1,3-dien-1-yl)formamide
SMILESO=CN(C1=CC=CC1)C1=CC=CC1
InChIInChI=1S/C11H11NO/c13-9-12(10-5-1-2-6-10)11-7-3-4-8-11/h1-5,7,9H,6,8H2
InChIKeyPRAREEHLGTXFIK-UHFFFAOYSA-N
XLogP2.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-di(cyclopenta-1,3-dien-1-yl)formamide?
The IUPAC name of N,N-di(cyclopenta-1,3-dien-1-yl)formamide (CID 22486733) is N,N-di(cyclopenta-1,3-dien-1-yl)formamide.
What is the SMILES notation for N,N-di(cyclopenta-1,3-dien-1-yl)formamide?
The canonical SMILES for N,N-di(cyclopenta-1,3-dien-1-yl)formamide is O=CN(C1=CC=CC1)C1=CC=CC1.
What is the InChIKey of N,N-di(cyclopenta-1,3-dien-1-yl)formamide?
The InChIKey is PRAREEHLGTXFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c13-9-12(10-5-1-2-6-10)11-7-3-4-8-11/h1-5,7,9H,6,8H2.
What are the key properties of N,N-di(cyclopenta-1,3-dien-1-yl)formamide?
N,N-di(cyclopenta-1,3-dien-1-yl)formamide has a molecular weight of 173.22 g/mol, XLogP of 2.13, 3 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)formamide is sourced from PubChem (CID 22486733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).