N,N-dipropylcyclohexa-1,3-diene-1-carboxamide

C13H21NO — CID 54302311

IUPACN,N-dipropylcyclohexa-1,3-diene-1-carboxamide
SMILESCCCN(CCC)C(=O)C1=CC=CCC1
InChIInChI=1S/C13H21NO/c1-3-10-14(11-4-2)13(15)12-8-6-5-7-9-12/h5-6,8H,3-4,7,9-11H2,1-2H3
InChIKeyKTHQCDCENVMTPE-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.91
Rot. Bonds5

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

N,N-dipropylcyclohexa-1,3-diene-1-carboxamide (PubChem CID 54302311) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N,N-dipropylcyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN,N-dipropylcyclohexa-1,3-diene-1-carboxamide
PubChem CID54302311
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN,N-dipropylcyclohexa-1,3-diene-1-carboxamide
SMILESCCCN(CCC)C(=O)C1=CC=CCC1
InChIInChI=1S/C13H21NO/c1-3-10-14(11-4-2)13(15)12-8-6-5-7-9-12/h5-6,8H,3-4,7,9-11H2,1-2H3
InChIKeyKTHQCDCENVMTPE-UHFFFAOYSA-N
XLogP2.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dipropylcyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of N,N-dipropylcyclohexa-1,3-diene-1-carboxamide (CID 54302311) is N,N-dipropylcyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for N,N-dipropylcyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for N,N-dipropylcyclohexa-1,3-diene-1-carboxamide is CCCN(CCC)C(=O)C1=CC=CCC1.
What is the InChIKey of N,N-dipropylcyclohexa-1,3-diene-1-carboxamide?
The InChIKey is KTHQCDCENVMTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-10-14(11-4-2)13(15)12-8-6-5-7-9-12/h5-6,8H,3-4,7,9-11H2,1-2H3.
What are the key properties of N,N-dipropylcyclohexa-1,3-diene-1-carboxamide?
N,N-dipropylcyclohexa-1,3-diene-1-carboxamide has a molecular weight of 207.32 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropylcyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 54302311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).