1-[(1R,3R)-3-(propan-2-ylamino)cyclopentyl]ethenol

C10H19NO — CID 58404352

IUPAC1-[(1R,3R)-3-(propan-2-ylamino)cyclopentyl]ethenol
SMILESC=C(O)[C@@H]1CC[C@@H](NC(C)C)C1
InChIInChI=1S/C10H19NO/c1-7(2)11-10-5-4-9(6-10)8(3)12/h7,9-12H,3-6H2,1-2H3/t9-,10-/m1/s1
InChIKeyRXFZGQSWRFSHKC-NXEZZACHSA-N
MW169.27 g/mol
LogP2.22
Rot. Bonds3

About 1-[(1R,3R)-3-(propan-2-ylamino)cyclopentyl]ethenol

1-[(1R,3R)-3-(propan-2-ylamino)cyclopentyl]ethenol (PubChem CID 58404352) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-[(1R,3R)-3-(propan-2-ylamino)cyclopentyl]ethenol.

Molecular Properties

Compound Name1-[(1R,3R)-3-(propan-2-ylamino)cyclopentyl]ethenol
PubChem CID58404352
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-[(1R,3R)-3-(propan-2-ylamino)cyclopentyl]ethenol
SMILESC=C(O)[C@@H]1CC[C@@H](NC(C)C)C1
InChIInChI=1S/C10H19NO/c1-7(2)11-10-5-4-9(6-10)8(3)12/h7,9-12H,3-6H2,1-2H3/t9-,10-/m1/s1
InChIKeyRXFZGQSWRFSHKC-NXEZZACHSA-N
XLogP2.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3R)-3-(propan-2-ylamino)cyclopentyl]ethenol?
The IUPAC name of 1-[(1R,3R)-3-(propan-2-ylamino)cyclopentyl]ethenol (CID 58404352) is 1-[(1R,3R)-3-(propan-2-ylamino)cyclopentyl]ethenol.
What is the SMILES notation for 1-[(1R,3R)-3-(propan-2-ylamino)cyclopentyl]ethenol?
The canonical SMILES for 1-[(1R,3R)-3-(propan-2-ylamino)cyclopentyl]ethenol is C=C(O)[C@@H]1CC[C@@H](NC(C)C)C1.
What is the InChIKey of 1-[(1R,3R)-3-(propan-2-ylamino)cyclopentyl]ethenol?
The InChIKey is RXFZGQSWRFSHKC-NXEZZACHSA-N. The full InChI is InChI=1S/C10H19NO/c1-7(2)11-10-5-4-9(6-10)8(3)12/h7,9-12H,3-6H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of 1-[(1R,3R)-3-(propan-2-ylamino)cyclopentyl]ethenol?
1-[(1R,3R)-3-(propan-2-ylamino)cyclopentyl]ethenol has a molecular weight of 169.27 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3R)-3-(propan-2-ylamino)cyclopentyl]ethenol is sourced from PubChem (CID 58404352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).