(E)-N-hydroxypent-2-enamide

C5H9NO2 — CID 87376694

IUPAC(E)-N-hydroxypent-2-enamide
SMILESCC/C=C/C(=O)NO
InChIInChI=1S/C5H9NO2/c1-2-3-4-5(7)6-8/h3-4,8H,2H2,1H3,(H,6,7)/b4-3+
InChIKeySYCVAEXBSCVWNH-ONEGZZNKSA-N
MW115.13 g/mol
LogP0.46
Rot. Bonds2

About (E)-N-hydroxypent-2-enamide

(E)-N-hydroxypent-2-enamide (PubChem CID 87376694) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is (E)-N-hydroxypent-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxypent-2-enamide
PubChem CID87376694
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name(E)-N-hydroxypent-2-enamide
SMILESCC/C=C/C(=O)NO
InChIInChI=1S/C5H9NO2/c1-2-3-4-5(7)6-8/h3-4,8H,2H2,1H3,(H,6,7)/b4-3+
InChIKeySYCVAEXBSCVWNH-ONEGZZNKSA-N
XLogP0.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-4-amino-N-hydroxybut-2-enamide
CID 130533249
N,N'-dihydroxyocta-2,6-dienediamide
CID 53435565
(E)-N-[(1R,2R)-2-hydroxycyclobutyl]pent-2-enamide
CID 131231878
methyl N-[(E)-pent-2-enoyl]carbamate
CID 11615207
(E)-N-(cyanomethyl)pent-2-enamide
CID 131236211
N-(3-hydroxypropyl)pent-2-enamide
CID 174776324
(E)-pent-2-enoic acid
CID 638122
pent-2-enoic acid;hydrochloride
CID 156883966
sodium pent-2-enoate
CID 141188038
pentasodium;pentakis((E)-pent-2-enoate)
CID 91885279
methyl [(3Z,5E)-nona-3,5-dien-5-yl] carbonate
CID 143778595
2-methylhexa-1,3-diene;prop-2-enoic acid
CID 161153984

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxypent-2-enamide?
The IUPAC name of (E)-N-hydroxypent-2-enamide (CID 87376694) is (E)-N-hydroxypent-2-enamide.
What is the SMILES notation for (E)-N-hydroxypent-2-enamide?
The canonical SMILES for (E)-N-hydroxypent-2-enamide is CC/C=C/C(=O)NO.
What is the InChIKey of (E)-N-hydroxypent-2-enamide?
The InChIKey is SYCVAEXBSCVWNH-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H9NO2/c1-2-3-4-5(7)6-8/h3-4,8H,2H2,1H3,(H,6,7)/b4-3+.
What are the key properties of (E)-N-hydroxypent-2-enamide?
(E)-N-hydroxypent-2-enamide has a molecular weight of 115.13 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxypent-2-enamide is sourced from PubChem (CID 87376694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).