N-[(E,3S,4R)-4-methylhept-5-en-3-yl]acetamide

C10H19NO — CID 161287310

IUPACN-[(E,3S,4R)-4-methylhept-5-en-3-yl]acetamide
SMILESC/C=C/[C@@H](C)[C@H](CC)NC(C)=O
InChIInChI=1S/C10H19NO/c1-5-7-8(3)10(6-2)11-9(4)12/h5,7-8,10H,6H2,1-4H3,(H,11,12)/b7-5+/t8-,10+/m1/s1
InChIKeyUKIILILWNISNMA-CWDNEZBLSA-N
MW169.27 g/mol
LogP2.11
Rot. Bonds4

About N-[(E,3S,4R)-4-methylhept-5-en-3-yl]acetamide

N-[(E,3S,4R)-4-methylhept-5-en-3-yl]acetamide (PubChem CID 161287310) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-[(E,3S,4R)-4-methylhept-5-en-3-yl]acetamide.

Molecular Properties

Compound NameN-[(E,3S,4R)-4-methylhept-5-en-3-yl]acetamide
PubChem CID161287310
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-[(E,3S,4R)-4-methylhept-5-en-3-yl]acetamide
SMILESC/C=C/[C@@H](C)[C@H](CC)NC(C)=O
InChIInChI=1S/C10H19NO/c1-5-7-8(3)10(6-2)11-9(4)12/h5,7-8,10H,6H2,1-4H3,(H,11,12)/b7-5+/t8-,10+/m1/s1
InChIKeyUKIILILWNISNMA-CWDNEZBLSA-N
XLogP2.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

propyl 2-acetamidopent-3-enoate
CID 54298805
(E)-5-methyl-3-(methylamino)oct-6-en-4-ol
CID 59728821
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CID 22405555
N-(4-phosphanyloxyhexan-3-yl)acetamide
CID 176611194
N-[(E,2S)-hex-3-en-2-yl]acetamide
CID 134947978
(E)-2-ethyl-3-methylhex-4-enal
CID 15312272
N-[(2S,3S)-3-hydroxypentan-2-yl]acetamide
CID 55301756
3-acetamido-4-methylpentanoic acid
CID 22460001
N-[(2S)-1-oxobutan-2-yl]acetamide
CID 55299338
N-(3-methyl-1-sulfanylbutan-2-yl)acetamide
CID 130023779
N-[(2S,3R)-3-methyl-1-nitro-4-oxobutan-2-yl]acetamide
CID 90327000
tert-butyl N-[(E,3S)-hex-4-en-3-yl]carbamate
CID 102602622

Frequently Asked Questions

What is the IUPAC name of N-[(E,3S,4R)-4-methylhept-5-en-3-yl]acetamide?
The IUPAC name of N-[(E,3S,4R)-4-methylhept-5-en-3-yl]acetamide (CID 161287310) is N-[(E,3S,4R)-4-methylhept-5-en-3-yl]acetamide.
What is the SMILES notation for N-[(E,3S,4R)-4-methylhept-5-en-3-yl]acetamide?
The canonical SMILES for N-[(E,3S,4R)-4-methylhept-5-en-3-yl]acetamide is C/C=C/[C@@H](C)[C@H](CC)NC(C)=O.
What is the InChIKey of N-[(E,3S,4R)-4-methylhept-5-en-3-yl]acetamide?
The InChIKey is UKIILILWNISNMA-CWDNEZBLSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-7-8(3)10(6-2)11-9(4)12/h5,7-8,10H,6H2,1-4H3,(H,11,12)/b7-5+/t8-,10+/m1/s1.
What are the key properties of N-[(E,3S,4R)-4-methylhept-5-en-3-yl]acetamide?
N-[(E,3S,4R)-4-methylhept-5-en-3-yl]acetamide has a molecular weight of 169.27 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E,3S,4R)-4-methylhept-5-en-3-yl]acetamide is sourced from PubChem (CID 161287310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).