3-amino-1-(1-methylimidazol-2-yl)cyclopentan-1-ol

C9H15N3O — CID 80562885

IUPAC3-amino-1-(1-methylimidazol-2-yl)cyclopentan-1-ol
SMILESCn1ccnc1C1(O)CCC(N)C1
InChIInChI=1S/C9H15N3O/c1-12-5-4-11-8(12)9(13)3-2-7(10)6-9/h4-5,7,13H,2-3,6,10H2,1H3
InChIKeySHAUWICDUSCGQH-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.12
Rot. Bonds1

About 3-amino-1-(1-methylimidazol-2-yl)cyclopentan-1-ol

3-amino-1-(1-methylimidazol-2-yl)cyclopentan-1-ol (PubChem CID 80562885) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-amino-1-(1-methylimidazol-2-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name3-amino-1-(1-methylimidazol-2-yl)cyclopentan-1-ol
PubChem CID80562885
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-amino-1-(1-methylimidazol-2-yl)cyclopentan-1-ol
SMILESCn1ccnc1C1(O)CCC(N)C1
InChIInChI=1S/C9H15N3O/c1-12-5-4-11-8(12)9(13)3-2-7(10)6-9/h4-5,7,13H,2-3,6,10H2,1H3
InChIKeySHAUWICDUSCGQH-UHFFFAOYSA-N
XLogP0.12
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1-methylimidazol-2-yl)cyclopentan-1-ol?
The IUPAC name of 3-amino-1-(1-methylimidazol-2-yl)cyclopentan-1-ol (CID 80562885) is 3-amino-1-(1-methylimidazol-2-yl)cyclopentan-1-ol.
What is the SMILES notation for 3-amino-1-(1-methylimidazol-2-yl)cyclopentan-1-ol?
The canonical SMILES for 3-amino-1-(1-methylimidazol-2-yl)cyclopentan-1-ol is Cn1ccnc1C1(O)CCC(N)C1.
What is the InChIKey of 3-amino-1-(1-methylimidazol-2-yl)cyclopentan-1-ol?
The InChIKey is SHAUWICDUSCGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-12-5-4-11-8(12)9(13)3-2-7(10)6-9/h4-5,7,13H,2-3,6,10H2,1H3.
What are the key properties of 3-amino-1-(1-methylimidazol-2-yl)cyclopentan-1-ol?
3-amino-1-(1-methylimidazol-2-yl)cyclopentan-1-ol has a molecular weight of 181.24 g/mol, XLogP of 0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1-methylimidazol-2-yl)cyclopentan-1-ol is sourced from PubChem (CID 80562885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).