(Z)-N-[(3-hydroxycyclopentyl)methyl]-2-methylpent-2-enamide

C12H21NO2 — CID 103280003

IUPAC(Z)-N-[(3-hydroxycyclopentyl)methyl]-2-methylpent-2-enamide
SMILESCC/C=C(/C)C(=O)NCC1CCC(O)C1
InChIInChI=1S/C12H21NO2/c1-3-4-9(2)12(15)13-8-10-5-6-11(14)7-10/h4,10-11,14H,3,5-8H2,1-2H3,(H,13,15)/b9-4-
InChIKeyLPCLAFYHDVHVBQ-WTKPLQERSA-N
MW211.30 g/mol
LogP1.62
Rot. Bonds4

About (Z)-N-[(3-hydroxycyclopentyl)methyl]-2-methylpent-2-enamide

(Z)-N-[(3-hydroxycyclopentyl)methyl]-2-methylpent-2-enamide (PubChem CID 103280003) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (Z)-N-[(3-hydroxycyclopentyl)methyl]-2-methylpent-2-enamide.

Molecular Properties

Compound Name(Z)-N-[(3-hydroxycyclopentyl)methyl]-2-methylpent-2-enamide
PubChem CID103280003
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(Z)-N-[(3-hydroxycyclopentyl)methyl]-2-methylpent-2-enamide
SMILESCC/C=C(/C)C(=O)NCC1CCC(O)C1
InChIInChI=1S/C12H21NO2/c1-3-4-9(2)12(15)13-8-10-5-6-11(14)7-10/h4,10-11,14H,3,5-8H2,1-2H3,(H,13,15)/b9-4-
InChIKeyLPCLAFYHDVHVBQ-WTKPLQERSA-N
XLogP1.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.62
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-[(3-hydroxycyclopentyl)methyl]-2-methylpent-2-enamide?
The IUPAC name of (Z)-N-[(3-hydroxycyclopentyl)methyl]-2-methylpent-2-enamide (CID 103280003) is (Z)-N-[(3-hydroxycyclopentyl)methyl]-2-methylpent-2-enamide.
What is the SMILES notation for (Z)-N-[(3-hydroxycyclopentyl)methyl]-2-methylpent-2-enamide?
The canonical SMILES for (Z)-N-[(3-hydroxycyclopentyl)methyl]-2-methylpent-2-enamide is CC/C=C(/C)C(=O)NCC1CCC(O)C1.
What is the InChIKey of (Z)-N-[(3-hydroxycyclopentyl)methyl]-2-methylpent-2-enamide?
The InChIKey is LPCLAFYHDVHVBQ-WTKPLQERSA-N. The full InChI is InChI=1S/C12H21NO2/c1-3-4-9(2)12(15)13-8-10-5-6-11(14)7-10/h4,10-11,14H,3,5-8H2,1-2H3,(H,13,15)/b9-4-.
What are the key properties of (Z)-N-[(3-hydroxycyclopentyl)methyl]-2-methylpent-2-enamide?
(Z)-N-[(3-hydroxycyclopentyl)methyl]-2-methylpent-2-enamide has a molecular weight of 211.30 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(3-hydroxycyclopentyl)methyl]-2-methylpent-2-enamide is sourced from PubChem (CID 103280003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).