N-hex-1-en-3-ylpropanamide

C9H17NO — CID 54131480

IUPACN-hex-1-en-3-ylpropanamide
SMILESC=CC(CCC)NC(=O)CC
InChIInChI=1S/C9H17NO/c1-4-7-8(5-2)10-9(11)6-3/h5,8H,2,4,6-7H2,1,3H3,(H,10,11)
InChIKeyNURLSFMFZVUMSR-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.87
Rot. Bonds5

About N-hex-1-en-3-ylpropanamide

N-hex-1-en-3-ylpropanamide (PubChem CID 54131480) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-hex-1-en-3-ylpropanamide.

Molecular Properties

Compound NameN-hex-1-en-3-ylpropanamide
PubChem CID54131480
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-hex-1-en-3-ylpropanamide
SMILESC=CC(CCC)NC(=O)CC
InChIInChI=1S/C9H17NO/c1-4-7-8(5-2)10-9(11)6-3/h5,8H,2,4,6-7H2,1,3H3,(H,10,11)
InChIKeyNURLSFMFZVUMSR-UHFFFAOYSA-N
XLogP1.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.87
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

2,2,2-trichloro-N-[(3R)-hex-1-en-3-yl]acetamide
CID 13225937
(3R)-5-methyl-3-[2-[[(3R)-oct-1-en-3-yl]amino]-2-oxoethyl]hexanoic acid
CID 87615441
ethyl N-(5-hydroxypent-1-en-3-yl)carbamate
CID 45122936
N-[(3S)-3-methylpent-4-enyl]propanamide
CID 138511725
(3R)-3-ethenylhexanoic acid
CID 55301979
N-(2-hydroxyhexan-3-yl)propanamide
CID 163591274
N-hexa-1,5-dien-3-ylbut-3-enamide
CID 173296191
2-chloro-N-[(2S)-1-hydroxybut-3-en-2-yl]acetamide
CID 154931454
carbonic acid;3-methylhex-1-ene
CID 161181273
tert-butyl N-[(3S,5R)-5-hydroxyoct-1-en-3-yl]carbamate
CID 44605568
N-(1-oxopentan-2-yl)cyclopropanecarboxamide
CID 175249523
2-(prop-2-enoylamino)pentanoic acid
CID 18798141

Frequently Asked Questions

What is the IUPAC name of N-hex-1-en-3-ylpropanamide?
The IUPAC name of N-hex-1-en-3-ylpropanamide (CID 54131480) is N-hex-1-en-3-ylpropanamide.
What is the SMILES notation for N-hex-1-en-3-ylpropanamide?
The canonical SMILES for N-hex-1-en-3-ylpropanamide is C=CC(CCC)NC(=O)CC.
What is the InChIKey of N-hex-1-en-3-ylpropanamide?
The InChIKey is NURLSFMFZVUMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-7-8(5-2)10-9(11)6-3/h5,8H,2,4,6-7H2,1,3H3,(H,10,11).
What are the key properties of N-hex-1-en-3-ylpropanamide?
N-hex-1-en-3-ylpropanamide has a molecular weight of 155.24 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-1-en-3-ylpropanamide is sourced from PubChem (CID 54131480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).