N,N-diethylcyclohexa-1,3-diene-1-carboxamide

C11H17NO — CID 19699028

IUPACN,N-diethylcyclohexa-1,3-diene-1-carboxamide
SMILESCCN(CC)C(=O)C1=CC=CCC1
InChIInChI=1S/C11H17NO/c1-3-12(4-2)11(13)10-8-6-5-7-9-10/h5-6,8H,3-4,7,9H2,1-2H3
InChIKeyJDWUJORQASPBMN-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.13
Rot. Bonds3

About N,N-diethylcyclohexa-1,3-diene-1-carboxamide

N,N-diethylcyclohexa-1,3-diene-1-carboxamide (PubChem CID 19699028) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N,N-diethylcyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN,N-diethylcyclohexa-1,3-diene-1-carboxamide
PubChem CID19699028
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN,N-diethylcyclohexa-1,3-diene-1-carboxamide
SMILESCCN(CC)C(=O)C1=CC=CCC1
InChIInChI=1S/C11H17NO/c1-3-12(4-2)11(13)10-8-6-5-7-9-10/h5-6,8H,3-4,7,9H2,1-2H3
InChIKeyJDWUJORQASPBMN-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 ≤ 500179.26
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylcyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of N,N-diethylcyclohexa-1,3-diene-1-carboxamide (CID 19699028) is N,N-diethylcyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for N,N-diethylcyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for N,N-diethylcyclohexa-1,3-diene-1-carboxamide is CCN(CC)C(=O)C1=CC=CCC1.
What is the InChIKey of N,N-diethylcyclohexa-1,3-diene-1-carboxamide?
The InChIKey is JDWUJORQASPBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-12(4-2)11(13)10-8-6-5-7-9-10/h5-6,8H,3-4,7,9H2,1-2H3.
What are the key properties of N,N-diethylcyclohexa-1,3-diene-1-carboxamide?
N,N-diethylcyclohexa-1,3-diene-1-carboxamide has a molecular weight of 179.26 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-diethylcyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 19699028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).