(Z)-N-butyl-4-hydroxypent-2-enamide

C9H17NO2 — CID 15354771

IUPAC(Z)-N-butyl-4-hydroxypent-2-enamide
SMILESCCCCNC(=O)/C=C\C(C)O
InChIInChI=1S/C9H17NO2/c1-3-4-7-10-9(12)6-5-8(2)11/h5-6,8,11H,3-4,7H2,1-2H3,(H,10,12)/b6-5-
InChIKeyNHJYWTGAKGIDKQ-WAYWQWQTSA-N
MW171.24 g/mol
LogP0.84
Rot. Bonds5

About (Z)-N-butyl-4-hydroxypent-2-enamide

(Z)-N-butyl-4-hydroxypent-2-enamide (PubChem CID 15354771) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (Z)-N-butyl-4-hydroxypent-2-enamide.

Molecular Properties

Compound Name(Z)-N-butyl-4-hydroxypent-2-enamide
PubChem CID15354771
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(Z)-N-butyl-4-hydroxypent-2-enamide
SMILESCCCCNC(=O)/C=C\C(C)O
InChIInChI=1S/C9H17NO2/c1-3-4-7-10-9(12)6-5-8(2)11/h5-6,8,11H,3-4,7H2,1-2H3,(H,10,12)/b6-5-
InChIKeyNHJYWTGAKGIDKQ-WAYWQWQTSA-N
XLogP0.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-butyl-4-hydroxypent-2-enamide?
The IUPAC name of (Z)-N-butyl-4-hydroxypent-2-enamide (CID 15354771) is (Z)-N-butyl-4-hydroxypent-2-enamide.
What is the SMILES notation for (Z)-N-butyl-4-hydroxypent-2-enamide?
The canonical SMILES for (Z)-N-butyl-4-hydroxypent-2-enamide is CCCCNC(=O)/C=C\C(C)O.
What is the InChIKey of (Z)-N-butyl-4-hydroxypent-2-enamide?
The InChIKey is NHJYWTGAKGIDKQ-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-4-7-10-9(12)6-5-8(2)11/h5-6,8,11H,3-4,7H2,1-2H3,(H,10,12)/b6-5-.
What are the key properties of (Z)-N-butyl-4-hydroxypent-2-enamide?
(Z)-N-butyl-4-hydroxypent-2-enamide has a molecular weight of 171.24 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-butyl-4-hydroxypent-2-enamide is sourced from PubChem (CID 15354771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).