(E)-N-pent-4-enylbut-2-enamide

C9H15NO — CID 122404178

IUPAC(E)-N-pent-4-enylbut-2-enamide
SMILESC=CCCCNC(=O)/C=C/C
InChIInChI=1S/C9H15NO/c1-3-5-6-8-10-9(11)7-4-2/h3-4,7H,1,5-6,8H2,2H3,(H,10,11)/b7-4+
InChIKeyPQRTVQHUHRPGOP-QPJJXVBHSA-N
MW153.22 g/mol
LogP1.64
Rot. Bonds5

About (E)-N-pent-4-enylbut-2-enamide

(E)-N-pent-4-enylbut-2-enamide (PubChem CID 122404178) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (E)-N-pent-4-enylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-pent-4-enylbut-2-enamide
PubChem CID122404178
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(E)-N-pent-4-enylbut-2-enamide
SMILESC=CCCCNC(=O)/C=C/C
InChIInChI=1S/C9H15NO/c1-3-5-6-8-10-9(11)7-4-2/h3-4,7H,1,5-6,8H2,2H3,(H,10,11)/b7-4+
InChIKeyPQRTVQHUHRPGOP-QPJJXVBHSA-N
XLogP1.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(methylamino)pentyl]but-2-enamide
CID 91428426
(E)-N-(5-methylsulfanylpentyl)but-2-enamide
CID 104920081
N-(7-methyloctyl)but-2-enamide
CID 112727082
potassium 3-(but-2-enoylamino)propane-1-sulfonate
CID 141499458
(E)-N-(3,3-dimethylbutyl)but-2-enamide
CID 115580737
(E)-N-(4-pyrrolidin-1-ylbutyl)but-2-enamide
CID 110459707
N-[5-(diethylamino)pentyl]but-2-enamide
CID 91596429
(E)-N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]but-2-enamide
CID 130311674
(E)-N-[2-[2-[[(E)-but-2-enoyl]amino]ethyl-[(3E)-penta-1,3-dien-2-yl]amino]ethyl]but-2-enamide
CID 135130002
1-hex-5-enyl-3-methylurea
CID 171623663
(E)-N-[2-(3-hydroxypropylsulfanyl)ethyl]but-2-enamide
CID 103801044
N-[2-(methanesulfonamido)ethyl]but-2-enamide
CID 112727079

Frequently Asked Questions

What is the IUPAC name of (E)-N-pent-4-enylbut-2-enamide?
The IUPAC name of (E)-N-pent-4-enylbut-2-enamide (CID 122404178) is (E)-N-pent-4-enylbut-2-enamide.
What is the SMILES notation for (E)-N-pent-4-enylbut-2-enamide?
The canonical SMILES for (E)-N-pent-4-enylbut-2-enamide is C=CCCCNC(=O)/C=C/C.
What is the InChIKey of (E)-N-pent-4-enylbut-2-enamide?
The InChIKey is PQRTVQHUHRPGOP-QPJJXVBHSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-5-6-8-10-9(11)7-4-2/h3-4,7H,1,5-6,8H2,2H3,(H,10,11)/b7-4+.
What are the key properties of (E)-N-pent-4-enylbut-2-enamide?
(E)-N-pent-4-enylbut-2-enamide has a molecular weight of 153.22 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-pent-4-enylbut-2-enamide is sourced from PubChem (CID 122404178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).