5-[(4-chlorophenyl)methyl]-1-(hydrazinylmethyl)-2,2-dimethylcyclopentan-1-ol

C15H23ClN2O — CID 118047671

IUPAC5-[(4-chlorophenyl)methyl]-1-(hydrazinylmethyl)-2,2-dimethylcyclopentan-1-ol
SMILESCC1(C)CCC(Cc2ccc(Cl)cc2)C1(O)CNN
InChIInChI=1S/C15H23ClN2O/c1-14(2)8-7-12(15(14,19)10-18-17)9-11-3-5-13(16)6-4-11/h3-6,12,18-19H,7-10,17H2,1-2H3
InChIKeyZFEDIVHAIGHCLY-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.51
Rot. Bonds4

About 5-[(4-chlorophenyl)methyl]-1-(hydrazinylmethyl)-2,2-dimethylcyclopentan-1-ol

5-[(4-chlorophenyl)methyl]-1-(hydrazinylmethyl)-2,2-dimethylcyclopentan-1-ol (PubChem CID 118047671) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-1-(hydrazinylmethyl)-2,2-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methyl]-1-(hydrazinylmethyl)-2,2-dimethylcyclopentan-1-ol
PubChem CID118047671
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name5-[(4-chlorophenyl)methyl]-1-(hydrazinylmethyl)-2,2-dimethylcyclopentan-1-ol
SMILESCC1(C)CCC(Cc2ccc(Cl)cc2)C1(O)CNN
InChIInChI=1S/C15H23ClN2O/c1-14(2)8-7-12(15(14,19)10-18-17)9-11-3-5-13(16)6-4-11/h3-6,12,18-19H,7-10,17H2,1-2H3
InChIKeyZFEDIVHAIGHCLY-UHFFFAOYSA-N
XLogP2.51
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methyl]-1-(hydrazinylmethyl)-2,2-dimethylcyclopentan-1-ol?
The IUPAC name of 5-[(4-chlorophenyl)methyl]-1-(hydrazinylmethyl)-2,2-dimethylcyclopentan-1-ol (CID 118047671) is 5-[(4-chlorophenyl)methyl]-1-(hydrazinylmethyl)-2,2-dimethylcyclopentan-1-ol.
What is the SMILES notation for 5-[(4-chlorophenyl)methyl]-1-(hydrazinylmethyl)-2,2-dimethylcyclopentan-1-ol?
The canonical SMILES for 5-[(4-chlorophenyl)methyl]-1-(hydrazinylmethyl)-2,2-dimethylcyclopentan-1-ol is CC1(C)CCC(Cc2ccc(Cl)cc2)C1(O)CNN.
What is the InChIKey of 5-[(4-chlorophenyl)methyl]-1-(hydrazinylmethyl)-2,2-dimethylcyclopentan-1-ol?
The InChIKey is ZFEDIVHAIGHCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-14(2)8-7-12(15(14,19)10-18-17)9-11-3-5-13(16)6-4-11/h3-6,12,18-19H,7-10,17H2,1-2H3.
What are the key properties of 5-[(4-chlorophenyl)methyl]-1-(hydrazinylmethyl)-2,2-dimethylcyclopentan-1-ol?
5-[(4-chlorophenyl)methyl]-1-(hydrazinylmethyl)-2,2-dimethylcyclopentan-1-ol has a molecular weight of 282.81 g/mol, XLogP of 2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methyl]-1-(hydrazinylmethyl)-2,2-dimethylcyclopentan-1-ol is sourced from PubChem (CID 118047671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).