(1R,4S)-4-(methylamino)cyclohept-2-en-1-ol

C8H15NO — CID 11819160

IUPAC(1R,4S)-4-(methylamino)cyclohept-2-en-1-ol
SMILESCN[C@@H]1C=C[C@H](O)CCC1
InChIInChI=1S/C8H15NO/c1-9-7-3-2-4-8(10)6-5-7/h5-10H,2-4H2,1H3/t7-,8+/m0/s1
InChIKeyHQSUXIQQQGPLSS-JGVFFNPUSA-N
MW141.21 g/mol
LogP0.68
Rot. Bonds1

About (1R,4S)-4-(methylamino)cyclohept-2-en-1-ol

(1R,4S)-4-(methylamino)cyclohept-2-en-1-ol (PubChem CID 11819160) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (1R,4S)-4-(methylamino)cyclohept-2-en-1-ol.

Molecular Properties

Compound Name(1R,4S)-4-(methylamino)cyclohept-2-en-1-ol
PubChem CID11819160
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(1R,4S)-4-(methylamino)cyclohept-2-en-1-ol
SMILESCN[C@@H]1C=C[C@H](O)CCC1
InChIInChI=1S/C8H15NO/c1-9-7-3-2-4-8(10)6-5-7/h5-10H,2-4H2,1H3/t7-,8+/m0/s1
InChIKeyHQSUXIQQQGPLSS-JGVFFNPUSA-N
XLogP0.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
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 (1R,4S)-4-(methylamino)cyclohept-2-en-1-ol?
The IUPAC name of (1R,4S)-4-(methylamino)cyclohept-2-en-1-ol (CID 11819160) is (1R,4S)-4-(methylamino)cyclohept-2-en-1-ol.
What is the SMILES notation for (1R,4S)-4-(methylamino)cyclohept-2-en-1-ol?
The canonical SMILES for (1R,4S)-4-(methylamino)cyclohept-2-en-1-ol is CN[C@@H]1C=C[C@H](O)CCC1.
What is the InChIKey of (1R,4S)-4-(methylamino)cyclohept-2-en-1-ol?
The InChIKey is HQSUXIQQQGPLSS-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H15NO/c1-9-7-3-2-4-8(10)6-5-7/h5-10H,2-4H2,1H3/t7-,8+/m0/s1.
What are the key properties of (1R,4S)-4-(methylamino)cyclohept-2-en-1-ol?
(1R,4S)-4-(methylamino)cyclohept-2-en-1-ol has a molecular weight of 141.21 g/mol, XLogP of 0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-4-(methylamino)cyclohept-2-en-1-ol is sourced from PubChem (CID 11819160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).