[(1S)-4-(methylamino)cyclopent-2-en-1-yl]methanol

C7H13NO — CID 59891074

IUPAC[(1S)-4-(methylamino)cyclopent-2-en-1-yl]methanol
SMILESCNC1C=C[C@@H](CO)C1
InChIInChI=1S/C7H13NO/c1-8-7-3-2-6(4-7)5-9/h2-3,6-9H,4-5H2,1H3/t6-,7?/m1/s1
InChIKeyQOICOZKIMOMQNQ-ULUSZKPHSA-N
MW127.19 g/mol
LogP0.14
Rot. Bonds2

About [(1S)-4-(methylamino)cyclopent-2-en-1-yl]methanol

[(1S)-4-(methylamino)cyclopent-2-en-1-yl]methanol (PubChem CID 59891074) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is [(1S)-4-(methylamino)cyclopent-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1S)-4-(methylamino)cyclopent-2-en-1-yl]methanol
PubChem CID59891074
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name[(1S)-4-(methylamino)cyclopent-2-en-1-yl]methanol
SMILESCNC1C=C[C@@H](CO)C1
InChIInChI=1S/C7H13NO/c1-8-7-3-2-6(4-7)5-9/h2-3,6-9H,4-5H2,1H3/t6-,7?/m1/s1
InChIKeyQOICOZKIMOMQNQ-ULUSZKPHSA-N
XLogP0.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.14
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 [(1S)-4-(methylamino)cyclopent-2-en-1-yl]methanol?
The IUPAC name of [(1S)-4-(methylamino)cyclopent-2-en-1-yl]methanol (CID 59891074) is [(1S)-4-(methylamino)cyclopent-2-en-1-yl]methanol.
What is the SMILES notation for [(1S)-4-(methylamino)cyclopent-2-en-1-yl]methanol?
The canonical SMILES for [(1S)-4-(methylamino)cyclopent-2-en-1-yl]methanol is CNC1C=C[C@@H](CO)C1.
What is the InChIKey of [(1S)-4-(methylamino)cyclopent-2-en-1-yl]methanol?
The InChIKey is QOICOZKIMOMQNQ-ULUSZKPHSA-N. The full InChI is InChI=1S/C7H13NO/c1-8-7-3-2-6(4-7)5-9/h2-3,6-9H,4-5H2,1H3/t6-,7?/m1/s1.
What are the key properties of [(1S)-4-(methylamino)cyclopent-2-en-1-yl]methanol?
[(1S)-4-(methylamino)cyclopent-2-en-1-yl]methanol has a molecular weight of 127.19 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-4-(methylamino)cyclopent-2-en-1-yl]methanol is sourced from PubChem (CID 59891074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).