4-prop-1-en-2-yl-N,N-dipropylcyclohexene-1-carboxamide

C16H27NO — CID 10444770

IUPAC4-prop-1-en-2-yl-N,N-dipropylcyclohexene-1-carboxamide
SMILESC=C(C)C1CC=C(C(=O)N(CCC)CCC)CC1
InChIInChI=1S/C16H27NO/c1-5-11-17(12-6-2)16(18)15-9-7-14(8-10-15)13(3)4/h9,14H,3,5-8,10-12H2,1-2,4H3
InChIKeyGAHAZSZEDIOFTG-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.94
Rot. Bonds6

About 4-prop-1-en-2-yl-N,N-dipropylcyclohexene-1-carboxamide

4-prop-1-en-2-yl-N,N-dipropylcyclohexene-1-carboxamide (PubChem CID 10444770) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-prop-1-en-2-yl-N,N-dipropylcyclohexene-1-carboxamide.

Molecular Properties

Compound Name4-prop-1-en-2-yl-N,N-dipropylcyclohexene-1-carboxamide
PubChem CID10444770
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name4-prop-1-en-2-yl-N,N-dipropylcyclohexene-1-carboxamide
SMILESC=C(C)C1CC=C(C(=O)N(CCC)CCC)CC1
InChIInChI=1S/C16H27NO/c1-5-11-17(12-6-2)16(18)15-9-7-14(8-10-15)13(3)4/h9,14H,3,5-8,10-12H2,1-2,4H3
InChIKeyGAHAZSZEDIOFTG-UHFFFAOYSA-N
XLogP3.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-prop-1-en-2-yl-N,N-dipropylcyclohexene-1-carboxamide?
The IUPAC name of 4-prop-1-en-2-yl-N,N-dipropylcyclohexene-1-carboxamide (CID 10444770) is 4-prop-1-en-2-yl-N,N-dipropylcyclohexene-1-carboxamide.
What is the SMILES notation for 4-prop-1-en-2-yl-N,N-dipropylcyclohexene-1-carboxamide?
The canonical SMILES for 4-prop-1-en-2-yl-N,N-dipropylcyclohexene-1-carboxamide is C=C(C)C1CC=C(C(=O)N(CCC)CCC)CC1.
What is the InChIKey of 4-prop-1-en-2-yl-N,N-dipropylcyclohexene-1-carboxamide?
The InChIKey is GAHAZSZEDIOFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-11-17(12-6-2)16(18)15-9-7-14(8-10-15)13(3)4/h9,14H,3,5-8,10-12H2,1-2,4H3.
What are the key properties of 4-prop-1-en-2-yl-N,N-dipropylcyclohexene-1-carboxamide?
4-prop-1-en-2-yl-N,N-dipropylcyclohexene-1-carboxamide has a molecular weight of 249.40 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-1-en-2-yl-N,N-dipropylcyclohexene-1-carboxamide is sourced from PubChem (CID 10444770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).