[4-(methylamino)cyclohex-2-en-1-yl]methanediol

C8H15NO2 — CID 123225847

IUPAC[4-(methylamino)cyclohex-2-en-1-yl]methanediol
SMILESCNC1C=CC(C(O)O)CC1
InChIInChI=1S/C8H15NO2/c1-9-7-4-2-6(3-5-7)8(10)11/h2,4,6-11H,3,5H2,1H3
InChIKeyMIBXQZFCRQMQDZ-UHFFFAOYSA-N
MW157.21 g/mol
LogP-0.15
Rot. Bonds2

About [4-(methylamino)cyclohex-2-en-1-yl]methanediol

[4-(methylamino)cyclohex-2-en-1-yl]methanediol (PubChem CID 123225847) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is [4-(methylamino)cyclohex-2-en-1-yl]methanediol.

Molecular Properties

Compound Name[4-(methylamino)cyclohex-2-en-1-yl]methanediol
PubChem CID123225847
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name[4-(methylamino)cyclohex-2-en-1-yl]methanediol
SMILESCNC1C=CC(C(O)O)CC1
InChIInChI=1S/C8H15NO2/c1-9-7-4-2-6(3-5-7)8(10)11/h2,4,6-11H,3,5H2,1H3
InChIKeyMIBXQZFCRQMQDZ-UHFFFAOYSA-N
XLogP-0.15
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)cyclohex-2-en-1-yl]methanediol?
The IUPAC name of [4-(methylamino)cyclohex-2-en-1-yl]methanediol (CID 123225847) is [4-(methylamino)cyclohex-2-en-1-yl]methanediol.
What is the SMILES notation for [4-(methylamino)cyclohex-2-en-1-yl]methanediol?
The canonical SMILES for [4-(methylamino)cyclohex-2-en-1-yl]methanediol is CNC1C=CC(C(O)O)CC1.
What is the InChIKey of [4-(methylamino)cyclohex-2-en-1-yl]methanediol?
The InChIKey is MIBXQZFCRQMQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-9-7-4-2-6(3-5-7)8(10)11/h2,4,6-11H,3,5H2,1H3.
What are the key properties of [4-(methylamino)cyclohex-2-en-1-yl]methanediol?
[4-(methylamino)cyclohex-2-en-1-yl]methanediol has a molecular weight of 157.21 g/mol, XLogP of -0.15, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)cyclohex-2-en-1-yl]methanediol is sourced from PubChem (CID 123225847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).