N-[(E)-hex-3-en-3-yl]-N-methylcyclohexanecarboxamide

C14H25NO — CID 129120710

IUPACN-[(E)-hex-3-en-3-yl]-N-methylcyclohexanecarboxamide
SMILESCC/C=C(\CC)N(C)C(=O)C1CCCCC1
InChIInChI=1S/C14H25NO/c1-4-9-13(5-2)15(3)14(16)12-10-7-6-8-11-12/h9,12H,4-8,10-11H2,1-3H3/b13-9+
InChIKeyGUBOCBYUKVRZRS-UKTHLTGXSA-N
MW223.36 g/mol
LogP3.73
Rot. Bonds4

About N-[(E)-hex-3-en-3-yl]-N-methylcyclohexanecarboxamide

N-[(E)-hex-3-en-3-yl]-N-methylcyclohexanecarboxamide (PubChem CID 129120710) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-[(E)-hex-3-en-3-yl]-N-methylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(E)-hex-3-en-3-yl]-N-methylcyclohexanecarboxamide
PubChem CID129120710
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-[(E)-hex-3-en-3-yl]-N-methylcyclohexanecarboxamide
SMILESCC/C=C(\CC)N(C)C(=O)C1CCCCC1
InChIInChI=1S/C14H25NO/c1-4-9-13(5-2)15(3)14(16)12-10-7-6-8-11-12/h9,12H,4-8,10-11H2,1-3H3/b13-9+
InChIKeyGUBOCBYUKVRZRS-UKTHLTGXSA-N
XLogP3.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-hex-3-en-3-yl]-N-methylcyclohexanecarboxamide?
The IUPAC name of N-[(E)-hex-3-en-3-yl]-N-methylcyclohexanecarboxamide (CID 129120710) is N-[(E)-hex-3-en-3-yl]-N-methylcyclohexanecarboxamide.
What is the SMILES notation for N-[(E)-hex-3-en-3-yl]-N-methylcyclohexanecarboxamide?
The canonical SMILES for N-[(E)-hex-3-en-3-yl]-N-methylcyclohexanecarboxamide is CC/C=C(\CC)N(C)C(=O)C1CCCCC1.
What is the InChIKey of N-[(E)-hex-3-en-3-yl]-N-methylcyclohexanecarboxamide?
The InChIKey is GUBOCBYUKVRZRS-UKTHLTGXSA-N. The full InChI is InChI=1S/C14H25NO/c1-4-9-13(5-2)15(3)14(16)12-10-7-6-8-11-12/h9,12H,4-8,10-11H2,1-3H3/b13-9+.
What are the key properties of N-[(E)-hex-3-en-3-yl]-N-methylcyclohexanecarboxamide?
N-[(E)-hex-3-en-3-yl]-N-methylcyclohexanecarboxamide has a molecular weight of 223.36 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-hex-3-en-3-yl]-N-methylcyclohexanecarboxamide is sourced from PubChem (CID 129120710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).