(Z)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylpent-2-enamide

C11H19NO2 — CID 80708876

IUPAC(Z)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylpent-2-enamide
SMILESCC/C=C(/C)C(=O)NCC1(CO)CC1
InChIInChI=1S/C11H19NO2/c1-3-4-9(2)10(14)12-7-11(8-13)5-6-11/h4,13H,3,5-8H2,1-2H3,(H,12,14)/b9-4-
InChIKeyGJLVYJQNIPXVNL-WTKPLQERSA-N
MW197.28 g/mol
LogP1.23
Rot. Bonds5

About (Z)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylpent-2-enamide

(Z)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylpent-2-enamide (PubChem CID 80708876) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (Z)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylpent-2-enamide.

Molecular Properties

Compound Name(Z)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylpent-2-enamide
PubChem CID80708876
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(Z)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylpent-2-enamide
SMILESCC/C=C(/C)C(=O)NCC1(CO)CC1
InChIInChI=1S/C11H19NO2/c1-3-4-9(2)10(14)12-7-11(8-13)5-6-11/h4,13H,3,5-8H2,1-2H3,(H,12,14)/b9-4-
InChIKeyGJLVYJQNIPXVNL-WTKPLQERSA-N
XLogP1.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylpent-2-enamide?
The IUPAC name of (Z)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylpent-2-enamide (CID 80708876) is (Z)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylpent-2-enamide.
What is the SMILES notation for (Z)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylpent-2-enamide?
The canonical SMILES for (Z)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylpent-2-enamide is CC/C=C(/C)C(=O)NCC1(CO)CC1.
What is the InChIKey of (Z)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylpent-2-enamide?
The InChIKey is GJLVYJQNIPXVNL-WTKPLQERSA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-4-9(2)10(14)12-7-11(8-13)5-6-11/h4,13H,3,5-8H2,1-2H3,(H,12,14)/b9-4-.
What are the key properties of (Z)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylpent-2-enamide?
(Z)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylpent-2-enamide has a molecular weight of 197.28 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylpent-2-enamide is sourced from PubChem (CID 80708876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).