(1S)-3-(methyliminomethyl)cyclopentan-1-ol

C7H13NO — CID 166905406

IUPAC(1S)-3-(methyliminomethyl)cyclopentan-1-ol
SMILESC/N=C/C1CC[C@H](O)C1
InChIInChI=1S/C7H13NO/c1-8-5-6-2-3-7(9)4-6/h5-7,9H,2-4H2,1H3/b8-5+/t6?,7-/m0/s1
InChIKeyXJCVBCOHZVIDBK-UBOOXLOHSA-N
MW127.19 g/mol
LogP0.85
Rot. Bonds1

About (1S)-3-(methyliminomethyl)cyclopentan-1-ol

(1S)-3-(methyliminomethyl)cyclopentan-1-ol (PubChem CID 166905406) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (1S)-3-(methyliminomethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name(1S)-3-(methyliminomethyl)cyclopentan-1-ol
PubChem CID166905406
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(1S)-3-(methyliminomethyl)cyclopentan-1-ol
SMILESC/N=C/C1CC[C@H](O)C1
InChIInChI=1S/C7H13NO/c1-8-5-6-2-3-7(9)4-6/h5-7,9H,2-4H2,1H3/b8-5+/t6?,7-/m0/s1
InChIKeyXJCVBCOHZVIDBK-UBOOXLOHSA-N
XLogP0.85
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-Methanimidoylcyclopentan-1-ol
CID 130266062
2-(3-Hydroxycyclopentyl)ethylidene-methylideneazanium
CID 163764580
(3R)-3-methyl-2-methyliminocyclopentan-1-ol
CID 163792952
(1R)-2-(methyliminomethyl)cyclopentan-1-ol
CID 174340923

Frequently Asked Questions

What is the IUPAC name of (1S)-3-(methyliminomethyl)cyclopentan-1-ol?
The IUPAC name of (1S)-3-(methyliminomethyl)cyclopentan-1-ol (CID 166905406) is (1S)-3-(methyliminomethyl)cyclopentan-1-ol.
What is the SMILES notation for (1S)-3-(methyliminomethyl)cyclopentan-1-ol?
The canonical SMILES for (1S)-3-(methyliminomethyl)cyclopentan-1-ol is C/N=C/C1CC[C@H](O)C1.
What is the InChIKey of (1S)-3-(methyliminomethyl)cyclopentan-1-ol?
The InChIKey is XJCVBCOHZVIDBK-UBOOXLOHSA-N. The full InChI is InChI=1S/C7H13NO/c1-8-5-6-2-3-7(9)4-6/h5-7,9H,2-4H2,1H3/b8-5+/t6?,7-/m0/s1.
What are the key properties of (1S)-3-(methyliminomethyl)cyclopentan-1-ol?
(1S)-3-(methyliminomethyl)cyclopentan-1-ol has a molecular weight of 127.19 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-(methyliminomethyl)cyclopentan-1-ol is sourced from PubChem (CID 166905406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).