[(1R,4S)-4-aminocyclohex-2-en-1-yl]methanol

C7H13NO — CID 45078780

IUPAC[(1R,4S)-4-aminocyclohex-2-en-1-yl]methanol
SMILESN[C@@H]1C=C[C@H](CO)CC1
InChIInChI=1S/C7H13NO/c8-7-3-1-6(5-9)2-4-7/h1,3,6-7,9H,2,4-5,8H2/t6-,7+/m0/s1
InChIKeyJMFLAIXAZRWAPT-NKWVEPMBSA-N
MW127.19 g/mol
LogP0.27
Rot. Bonds1

About [(1R,4S)-4-aminocyclohex-2-en-1-yl]methanol

[(1R,4S)-4-aminocyclohex-2-en-1-yl]methanol (PubChem CID 45078780) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is [(1R,4S)-4-aminocyclohex-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R,4S)-4-aminocyclohex-2-en-1-yl]methanol
PubChem CID45078780
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name[(1R,4S)-4-aminocyclohex-2-en-1-yl]methanol
SMILESN[C@@H]1C=C[C@H](CO)CC1
InChIInChI=1S/C7H13NO/c8-7-3-1-6(5-9)2-4-7/h1,3,6-7,9H,2,4-5,8H2/t6-,7+/m0/s1
InChIKeyJMFLAIXAZRWAPT-NKWVEPMBSA-N
XLogP0.27
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.27
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-aminocyclohex-2-en-1-yl]methanol?
The IUPAC name of [(1R,4S)-4-aminocyclohex-2-en-1-yl]methanol (CID 45078780) is [(1R,4S)-4-aminocyclohex-2-en-1-yl]methanol.
What is the SMILES notation for [(1R,4S)-4-aminocyclohex-2-en-1-yl]methanol?
The canonical SMILES for [(1R,4S)-4-aminocyclohex-2-en-1-yl]methanol is N[C@@H]1C=C[C@H](CO)CC1.
What is the InChIKey of [(1R,4S)-4-aminocyclohex-2-en-1-yl]methanol?
The InChIKey is JMFLAIXAZRWAPT-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H13NO/c8-7-3-1-6(5-9)2-4-7/h1,3,6-7,9H,2,4-5,8H2/t6-,7+/m0/s1.
What are the key properties of [(1R,4S)-4-aminocyclohex-2-en-1-yl]methanol?
[(1R,4S)-4-aminocyclohex-2-en-1-yl]methanol has a molecular weight of 127.19 g/mol, XLogP of 0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-4-aminocyclohex-2-en-1-yl]methanol is sourced from PubChem (CID 45078780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).