3-imino-2,2-dimethylcyclopentan-1-ol

C7H13NO — CID 146250665

IUPAC3-imino-2,2-dimethylcyclopentan-1-ol
SMILES[H]/N=C1\CCC(O)C1(C)C
InChIInChI=1S/C7H13NO/c1-7(2)5(8)3-4-6(7)9/h6,8-9H,3-4H2,1-2H3/b8-5+
InChIKeyPOSJLKUVDJZJKJ-VMPITWQZSA-N
MW127.19 g/mol
LogP1.19
Rot. Bonds

About 3-imino-2,2-dimethylcyclopentan-1-ol

3-imino-2,2-dimethylcyclopentan-1-ol (PubChem CID 146250665) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 3-imino-2,2-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name3-imino-2,2-dimethylcyclopentan-1-ol
PubChem CID146250665
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name3-imino-2,2-dimethylcyclopentan-1-ol
SMILES[H]/N=C1\CCC(O)C1(C)C
InChIInChI=1S/C7H13NO/c1-7(2)5(8)3-4-6(7)9/h6,8-9H,3-4H2,1-2H3/b8-5+
InChIKeyPOSJLKUVDJZJKJ-VMPITWQZSA-N
XLogP1.19
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-imino-2,2-dimethylcyclopentan-1-ol?
The IUPAC name of 3-imino-2,2-dimethylcyclopentan-1-ol (CID 146250665) is 3-imino-2,2-dimethylcyclopentan-1-ol.
What is the SMILES notation for 3-imino-2,2-dimethylcyclopentan-1-ol?
The canonical SMILES for 3-imino-2,2-dimethylcyclopentan-1-ol is [H]/N=C1\CCC(O)C1(C)C.
What is the InChIKey of 3-imino-2,2-dimethylcyclopentan-1-ol?
The InChIKey is POSJLKUVDJZJKJ-VMPITWQZSA-N. The full InChI is InChI=1S/C7H13NO/c1-7(2)5(8)3-4-6(7)9/h6,8-9H,3-4H2,1-2H3/b8-5+.
What are the key properties of 3-imino-2,2-dimethylcyclopentan-1-ol?
3-imino-2,2-dimethylcyclopentan-1-ol has a molecular weight of 127.19 g/mol, XLogP of 1.19, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-2,2-dimethylcyclopentan-1-ol is sourced from PubChem (CID 146250665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).