(Z)-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylpent-2-enamide

C12H21NO3 — CID 79039289

IUPAC(Z)-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylpent-2-enamide
SMILESCC/C=C(/C)C(=O)NCC1(O)CCOCC1
InChIInChI=1S/C12H21NO3/c1-3-4-10(2)11(14)13-9-12(15)5-7-16-8-6-12/h4,15H,3,5-9H2,1-2H3,(H,13,14)/b10-4-
InChIKeyRGZGEBJCIRKUES-WMZJFQQLSA-N
MW227.30 g/mol
LogP1.00
Rot. Bonds4

About (Z)-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylpent-2-enamide

(Z)-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylpent-2-enamide (PubChem CID 79039289) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is (Z)-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylpent-2-enamide.

Molecular Properties

Compound Name(Z)-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylpent-2-enamide
PubChem CID79039289
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name(Z)-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylpent-2-enamide
SMILESCC/C=C(/C)C(=O)NCC1(O)CCOCC1
InChIInChI=1S/C12H21NO3/c1-3-4-10(2)11(14)13-9-12(15)5-7-16-8-6-12/h4,15H,3,5-9H2,1-2H3,(H,13,14)/b10-4-
InChIKeyRGZGEBJCIRKUES-WMZJFQQLSA-N
XLogP1.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylpent-2-enamide?
The IUPAC name of (Z)-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylpent-2-enamide (CID 79039289) is (Z)-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylpent-2-enamide.
What is the SMILES notation for (Z)-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylpent-2-enamide?
The canonical SMILES for (Z)-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylpent-2-enamide is CC/C=C(/C)C(=O)NCC1(O)CCOCC1.
What is the InChIKey of (Z)-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylpent-2-enamide?
The InChIKey is RGZGEBJCIRKUES-WMZJFQQLSA-N. The full InChI is InChI=1S/C12H21NO3/c1-3-4-10(2)11(14)13-9-12(15)5-7-16-8-6-12/h4,15H,3,5-9H2,1-2H3,(H,13,14)/b10-4-.
What are the key properties of (Z)-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylpent-2-enamide?
(Z)-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylpent-2-enamide has a molecular weight of 227.30 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylpent-2-enamide is sourced from PubChem (CID 79039289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).