(5-aminocyclohex-3-en-1-yl)methanol

C7H13NO — CID 73190674

IUPAC(5-aminocyclohex-3-en-1-yl)methanol
SMILESNC1C=CCC(CO)C1
InChIInChI=1S/C7H13NO/c8-7-3-1-2-6(4-7)5-9/h1,3,6-7,9H,2,4-5,8H2
InChIKeyXFSRTKPKEPJBMN-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.27
Rot. Bonds1

About (5-aminocyclohex-3-en-1-yl)methanol

(5-aminocyclohex-3-en-1-yl)methanol (PubChem CID 73190674) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (5-aminocyclohex-3-en-1-yl)methanol.

Molecular Properties

Compound Name(5-aminocyclohex-3-en-1-yl)methanol
PubChem CID73190674
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(5-aminocyclohex-3-en-1-yl)methanol
SMILESNC1C=CCC(CO)C1
InChIInChI=1S/C7H13NO/c8-7-3-1-2-6(4-7)5-9/h1,3,6-7,9H,2,4-5,8H2
InChIKeyXFSRTKPKEPJBMN-UHFFFAOYSA-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 (5-aminocyclohex-3-en-1-yl)methanol?
The IUPAC name of (5-aminocyclohex-3-en-1-yl)methanol (CID 73190674) is (5-aminocyclohex-3-en-1-yl)methanol.
What is the SMILES notation for (5-aminocyclohex-3-en-1-yl)methanol?
The canonical SMILES for (5-aminocyclohex-3-en-1-yl)methanol is NC1C=CCC(CO)C1.
What is the InChIKey of (5-aminocyclohex-3-en-1-yl)methanol?
The InChIKey is XFSRTKPKEPJBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c8-7-3-1-2-6(4-7)5-9/h1,3,6-7,9H,2,4-5,8H2.
What are the key properties of (5-aminocyclohex-3-en-1-yl)methanol?
(5-aminocyclohex-3-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 (5-aminocyclohex-3-en-1-yl)methanol is sourced from PubChem (CID 73190674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).