(1R,2R,4S)-4-methyl-2-(prop-2-enylamino)cyclopentan-1-ol

C9H17NO — CID 163681948

IUPAC(1R,2R,4S)-4-methyl-2-(prop-2-enylamino)cyclopentan-1-ol
SMILESC=CCN[C@@H]1C[C@H](C)C[C@H]1O
InChIInChI=1S/C9H17NO/c1-3-4-10-8-5-7(2)6-9(8)11/h3,7-11H,1,4-6H2,2H3/t7-,8+,9+/m0/s1
InChIKeyJLNUCNDPHWDTJG-DJLDLDEBSA-N
MW155.24 g/mol
LogP0.92
Rot. Bonds3

About (1R,2R,4S)-4-methyl-2-(prop-2-enylamino)cyclopentan-1-ol

(1R,2R,4S)-4-methyl-2-(prop-2-enylamino)cyclopentan-1-ol (PubChem CID 163681948) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (1R,2R,4S)-4-methyl-2-(prop-2-enylamino)cyclopentan-1-ol.

Molecular Properties

Compound Name(1R,2R,4S)-4-methyl-2-(prop-2-enylamino)cyclopentan-1-ol
PubChem CID163681948
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(1R,2R,4S)-4-methyl-2-(prop-2-enylamino)cyclopentan-1-ol
SMILESC=CCN[C@@H]1C[C@H](C)C[C@H]1O
InChIInChI=1S/C9H17NO/c1-3-4-10-8-5-7(2)6-9(8)11/h3,7-11H,1,4-6H2,2H3/t7-,8+,9+/m0/s1
InChIKeyJLNUCNDPHWDTJG-DJLDLDEBSA-N
XLogP0.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.92
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 (1R,2R,4S)-4-methyl-2-(prop-2-enylamino)cyclopentan-1-ol?
The IUPAC name of (1R,2R,4S)-4-methyl-2-(prop-2-enylamino)cyclopentan-1-ol (CID 163681948) is (1R,2R,4S)-4-methyl-2-(prop-2-enylamino)cyclopentan-1-ol.
What is the SMILES notation for (1R,2R,4S)-4-methyl-2-(prop-2-enylamino)cyclopentan-1-ol?
The canonical SMILES for (1R,2R,4S)-4-methyl-2-(prop-2-enylamino)cyclopentan-1-ol is C=CCN[C@@H]1C[C@H](C)C[C@H]1O.
What is the InChIKey of (1R,2R,4S)-4-methyl-2-(prop-2-enylamino)cyclopentan-1-ol?
The InChIKey is JLNUCNDPHWDTJG-DJLDLDEBSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-4-10-8-5-7(2)6-9(8)11/h3,7-11H,1,4-6H2,2H3/t7-,8+,9+/m0/s1.
What are the key properties of (1R,2R,4S)-4-methyl-2-(prop-2-enylamino)cyclopentan-1-ol?
(1R,2R,4S)-4-methyl-2-(prop-2-enylamino)cyclopentan-1-ol has a molecular weight of 155.24 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-4-methyl-2-(prop-2-enylamino)cyclopentan-1-ol is sourced from PubChem (CID 163681948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).