(E)-N-butyl-6-chlorohex-2-enamide

C10H18ClNO — CID 154707012

IUPAC(E)-N-butyl-6-chlorohex-2-enamide
SMILESCCCCNC(=O)/C=C/CCCCl
InChIInChI=1S/C10H18ClNO/c1-2-3-9-12-10(13)7-5-4-6-8-11/h5,7H,2-4,6,8-9H2,1H3,(H,12,13)/b7-5+
InChIKeyNUYVOZVSFWPPTE-FNORWQNLSA-N
MW203.71 g/mol
LogP2.48
Rot. Bonds7

About (E)-N-butyl-6-chlorohex-2-enamide

(E)-N-butyl-6-chlorohex-2-enamide (PubChem CID 154707012) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is (E)-N-butyl-6-chlorohex-2-enamide.

Molecular Properties

Compound Name(E)-N-butyl-6-chlorohex-2-enamide
PubChem CID154707012
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name(E)-N-butyl-6-chlorohex-2-enamide
SMILESCCCCNC(=O)/C=C/CCCCl
InChIInChI=1S/C10H18ClNO/c1-2-3-9-12-10(13)7-5-4-6-8-11/h5,7H,2-4,6,8-9H2,1H3,(H,12,13)/b7-5+
InChIKeyNUYVOZVSFWPPTE-FNORWQNLSA-N
XLogP2.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-butyldec-2-enamide
CID 160628271
N-[2-(icos-2-enoylamino)ethyl]icos-2-enamide
CID 87333364
(E)-N-[3-[methyl-[3-[[(E)-oct-2-enoyl]amino]propyl]amino]propyl]oct-2-enamide
CID 102116540
3-[[(E)-oct-2-enoyl]amino]propanoic acid
CID 101276344
(E)-N-[2-(dimethylamino)ethyl]hept-2-enamide
CID 102117807
N-(2-sulfanylethyl)dec-2-enamide
CID 88633886
3-[[(E)-oct-2-enoyl]amino]propane-1-sulfonic acid
CID 101283798
N-propylhex-2-enamide
CID 88538823
(E)-N-[3-[3-hydroxypropyl-[3-[[(E)-oct-2-enoyl]amino]propyl]amino]propyl]oct-2-enamide
CID 101285798
(E)-N-[3-(diethylamino)propyl]dec-2-enamide
CID 86694810
4-[[(E)-dodec-2-enoyl]amino]butane-1-sulfonic acid
CID 101284524
(2Z,4Z)-N,N'-di(tetradecyl)hexa-2,4-dienediamide
CID 102438927

Frequently Asked Questions

What is the IUPAC name of (E)-N-butyl-6-chlorohex-2-enamide?
The IUPAC name of (E)-N-butyl-6-chlorohex-2-enamide (CID 154707012) is (E)-N-butyl-6-chlorohex-2-enamide.
What is the SMILES notation for (E)-N-butyl-6-chlorohex-2-enamide?
The canonical SMILES for (E)-N-butyl-6-chlorohex-2-enamide is CCCCNC(=O)/C=C/CCCCl.
What is the InChIKey of (E)-N-butyl-6-chlorohex-2-enamide?
The InChIKey is NUYVOZVSFWPPTE-FNORWQNLSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-2-3-9-12-10(13)7-5-4-6-8-11/h5,7H,2-4,6,8-9H2,1H3,(H,12,13)/b7-5+.
What are the key properties of (E)-N-butyl-6-chlorohex-2-enamide?
(E)-N-butyl-6-chlorohex-2-enamide has a molecular weight of 203.71 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-butyl-6-chlorohex-2-enamide is sourced from PubChem (CID 154707012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).