1,7,7-trimethyl-3-(2-phenylhydrazinyl)bicyclo[2.2.1]heptan-2-ol

C16H24N2O — CID 102377382

IUPAC1,7,7-trimethyl-3-(2-phenylhydrazinyl)bicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)C2CCC1(C)C(O)C2NNc1ccccc1
InChIInChI=1S/C16H24N2O/c1-15(2)12-9-10-16(15,3)14(19)13(12)18-17-11-7-5-4-6-8-11/h4-8,12-14,17-19H,9-10H2,1-3H3
InChIKeyJRNWOIIYSMMKDO-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.79
Rot. Bonds3

About 1,7,7-trimethyl-3-(2-phenylhydrazinyl)bicyclo[2.2.1]heptan-2-ol

1,7,7-trimethyl-3-(2-phenylhydrazinyl)bicyclo[2.2.1]heptan-2-ol (PubChem CID 102377382) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1,7,7-trimethyl-3-(2-phenylhydrazinyl)bicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name1,7,7-trimethyl-3-(2-phenylhydrazinyl)bicyclo[2.2.1]heptan-2-ol
PubChem CID102377382
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1,7,7-trimethyl-3-(2-phenylhydrazinyl)bicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)C2CCC1(C)C(O)C2NNc1ccccc1
InChIInChI=1S/C16H24N2O/c1-15(2)12-9-10-16(15,3)14(19)13(12)18-17-11-7-5-4-6-8-11/h4-8,12-14,17-19H,9-10H2,1-3H3
InChIKeyJRNWOIIYSMMKDO-UHFFFAOYSA-N
XLogP2.79
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-3-(2-phenylhydrazinyl)bicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 1,7,7-trimethyl-3-(2-phenylhydrazinyl)bicyclo[2.2.1]heptan-2-ol (CID 102377382) is 1,7,7-trimethyl-3-(2-phenylhydrazinyl)bicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 1,7,7-trimethyl-3-(2-phenylhydrazinyl)bicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 1,7,7-trimethyl-3-(2-phenylhydrazinyl)bicyclo[2.2.1]heptan-2-ol is CC1(C)C2CCC1(C)C(O)C2NNc1ccccc1.
What is the InChIKey of 1,7,7-trimethyl-3-(2-phenylhydrazinyl)bicyclo[2.2.1]heptan-2-ol?
The InChIKey is JRNWOIIYSMMKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-15(2)12-9-10-16(15,3)14(19)13(12)18-17-11-7-5-4-6-8-11/h4-8,12-14,17-19H,9-10H2,1-3H3.
What are the key properties of 1,7,7-trimethyl-3-(2-phenylhydrazinyl)bicyclo[2.2.1]heptan-2-ol?
1,7,7-trimethyl-3-(2-phenylhydrazinyl)bicyclo[2.2.1]heptan-2-ol has a molecular weight of 260.38 g/mol, XLogP of 2.79, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethyl-3-(2-phenylhydrazinyl)bicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 102377382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).