2-[(1S)-4-methoxy-5-methylidenecyclopent-2-en-1-yl]ethanamine

C9H15NO — CID 129253890

IUPAC2-[(1S)-4-methoxy-5-methylidenecyclopent-2-en-1-yl]ethanamine
SMILESC=C1C(OC)C=C[C@@H]1CCN
InChIInChI=1S/C9H15NO/c1-7-8(5-6-10)3-4-9(7)11-2/h3-4,8-9H,1,5-6,10H2,2H3/t8-,9?/m1/s1
InChIKeyOCKSMTDWIPKQBX-VEDVMXKPSA-N
MW153.22 g/mol
LogP1.09
Rot. Bonds3

About 2-[(1S)-4-methoxy-5-methylidenecyclopent-2-en-1-yl]ethanamine

2-[(1S)-4-methoxy-5-methylidenecyclopent-2-en-1-yl]ethanamine (PubChem CID 129253890) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-[(1S)-4-methoxy-5-methylidenecyclopent-2-en-1-yl]ethanamine.

Molecular Properties

Compound Name2-[(1S)-4-methoxy-5-methylidenecyclopent-2-en-1-yl]ethanamine
PubChem CID129253890
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-[(1S)-4-methoxy-5-methylidenecyclopent-2-en-1-yl]ethanamine
SMILESC=C1C(OC)C=C[C@@H]1CCN
InChIInChI=1S/C9H15NO/c1-7-8(5-6-10)3-4-9(7)11-2/h3-4,8-9H,1,5-6,10H2,2H3/t8-,9?/m1/s1
InChIKeyOCKSMTDWIPKQBX-VEDVMXKPSA-N
XLogP1.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.09
H-Bond Donors ≤ 51
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 2-[(1S)-4-methoxy-5-methylidenecyclopent-2-en-1-yl]ethanamine?
The IUPAC name of 2-[(1S)-4-methoxy-5-methylidenecyclopent-2-en-1-yl]ethanamine (CID 129253890) is 2-[(1S)-4-methoxy-5-methylidenecyclopent-2-en-1-yl]ethanamine.
What is the SMILES notation for 2-[(1S)-4-methoxy-5-methylidenecyclopent-2-en-1-yl]ethanamine?
The canonical SMILES for 2-[(1S)-4-methoxy-5-methylidenecyclopent-2-en-1-yl]ethanamine is C=C1C(OC)C=C[C@@H]1CCN.
What is the InChIKey of 2-[(1S)-4-methoxy-5-methylidenecyclopent-2-en-1-yl]ethanamine?
The InChIKey is OCKSMTDWIPKQBX-VEDVMXKPSA-N. The full InChI is InChI=1S/C9H15NO/c1-7-8(5-6-10)3-4-9(7)11-2/h3-4,8-9H,1,5-6,10H2,2H3/t8-,9?/m1/s1.
What are the key properties of 2-[(1S)-4-methoxy-5-methylidenecyclopent-2-en-1-yl]ethanamine?
2-[(1S)-4-methoxy-5-methylidenecyclopent-2-en-1-yl]ethanamine has a molecular weight of 153.22 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-4-methoxy-5-methylidenecyclopent-2-en-1-yl]ethanamine is sourced from PubChem (CID 129253890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).