(2S)-N-[(E)-4-methylpent-2-enyl]azetidine-2-carboxamide

C10H18N2O — CID 59032696

IUPAC(2S)-N-[(E)-4-methylpent-2-enyl]azetidine-2-carboxamide
SMILESCC(C)/C=C/CNC(=O)[C@@H]1CCN1
InChIInChI=1S/C10H18N2O/c1-8(2)4-3-6-12-10(13)9-5-7-11-9/h3-4,8-9,11H,5-7H2,1-2H3,(H,12,13)/b4-3+/t9-/m0/s1
InChIKeyPCIHGMKBZLFCBA-NWALNABHSA-N
MW182.27 g/mol
LogP0.68
Rot. Bonds4

About (2S)-N-[(E)-4-methylpent-2-enyl]azetidine-2-carboxamide

(2S)-N-[(E)-4-methylpent-2-enyl]azetidine-2-carboxamide (PubChem CID 59032696) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (2S)-N-[(E)-4-methylpent-2-enyl]azetidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(E)-4-methylpent-2-enyl]azetidine-2-carboxamide
PubChem CID59032696
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(2S)-N-[(E)-4-methylpent-2-enyl]azetidine-2-carboxamide
SMILESCC(C)/C=C/CNC(=O)[C@@H]1CCN1
InChIInChI=1S/C10H18N2O/c1-8(2)4-3-6-12-10(13)9-5-7-11-9/h3-4,8-9,11H,5-7H2,1-2H3,(H,12,13)/b4-3+/t9-/m0/s1
InChIKeyPCIHGMKBZLFCBA-NWALNABHSA-N
XLogP0.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (2S)-N-[(E)-4-methylpent-2-enyl]azetidine-2-carboxamide?
The IUPAC name of (2S)-N-[(E)-4-methylpent-2-enyl]azetidine-2-carboxamide (CID 59032696) is (2S)-N-[(E)-4-methylpent-2-enyl]azetidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(E)-4-methylpent-2-enyl]azetidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(E)-4-methylpent-2-enyl]azetidine-2-carboxamide is CC(C)/C=C/CNC(=O)[C@@H]1CCN1.
What is the InChIKey of (2S)-N-[(E)-4-methylpent-2-enyl]azetidine-2-carboxamide?
The InChIKey is PCIHGMKBZLFCBA-NWALNABHSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8(2)4-3-6-12-10(13)9-5-7-11-9/h3-4,8-9,11H,5-7H2,1-2H3,(H,12,13)/b4-3+/t9-/m0/s1.
What are the key properties of (2S)-N-[(E)-4-methylpent-2-enyl]azetidine-2-carboxamide?
(2S)-N-[(E)-4-methylpent-2-enyl]azetidine-2-carboxamide has a molecular weight of 182.27 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(E)-4-methylpent-2-enyl]azetidine-2-carboxamide is sourced from PubChem (CID 59032696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).