N-(2-amino-3-hydroxybutyl)pent-4-enamide

C9H18N2O2 — CID 64542113

IUPACN-(2-amino-3-hydroxybutyl)pent-4-enamide
SMILESC=CCCC(=O)NCC(N)C(C)O
InChIInChI=1S/C9H18N2O2/c1-3-4-5-9(13)11-6-8(10)7(2)12/h3,7-8,12H,1,4-6,10H2,2H3,(H,11,13)
InChIKeyPXRDCQJZSXMRBE-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.22
Rot. Bonds6

About N-(2-amino-3-hydroxybutyl)pent-4-enamide

N-(2-amino-3-hydroxybutyl)pent-4-enamide (PubChem CID 64542113) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N-(2-amino-3-hydroxybutyl)pent-4-enamide.

Molecular Properties

Compound NameN-(2-amino-3-hydroxybutyl)pent-4-enamide
PubChem CID64542113
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN-(2-amino-3-hydroxybutyl)pent-4-enamide
SMILESC=CCCC(=O)NCC(N)C(C)O
InChIInChI=1S/C9H18N2O2/c1-3-4-5-9(13)11-6-8(10)7(2)12/h3,7-8,12H,1,4-6,10H2,2H3,(H,11,13)
InChIKeyPXRDCQJZSXMRBE-UHFFFAOYSA-N
XLogP-0.22
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-hydroxybutyl)pent-4-enamide?
The IUPAC name of N-(2-amino-3-hydroxybutyl)pent-4-enamide (CID 64542113) is N-(2-amino-3-hydroxybutyl)pent-4-enamide.
What is the SMILES notation for N-(2-amino-3-hydroxybutyl)pent-4-enamide?
The canonical SMILES for N-(2-amino-3-hydroxybutyl)pent-4-enamide is C=CCCC(=O)NCC(N)C(C)O.
What is the InChIKey of N-(2-amino-3-hydroxybutyl)pent-4-enamide?
The InChIKey is PXRDCQJZSXMRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-4-5-9(13)11-6-8(10)7(2)12/h3,7-8,12H,1,4-6,10H2,2H3,(H,11,13).
What are the key properties of N-(2-amino-3-hydroxybutyl)pent-4-enamide?
N-(2-amino-3-hydroxybutyl)pent-4-enamide has a molecular weight of 186.25 g/mol, XLogP of -0.22, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-hydroxybutyl)pent-4-enamide is sourced from PubChem (CID 64542113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).