N-[(4-hydroxyphenyl)methyl]bicyclo[4.1.0]heptane-7-carboxamide

C15H19NO2 — CID 115681918

IUPACN-[(4-hydroxyphenyl)methyl]bicyclo[4.1.0]heptane-7-carboxamide
SMILESO=C(NCc1ccc(O)cc1)C1C2CCCCC21
InChIInChI=1S/C15H19NO2/c17-11-7-5-10(6-8-11)9-16-15(18)14-12-3-1-2-4-13(12)14/h5-8,12-14,17H,1-4,9H2,(H,16,18)
InChIKeyRRXLNCHTIOETDD-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.44
Rot. Bonds3

About N-[(4-hydroxyphenyl)methyl]bicyclo[4.1.0]heptane-7-carboxamide

N-[(4-hydroxyphenyl)methyl]bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 115681918) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methyl]bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methyl]bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID115681918
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC NameN-[(4-hydroxyphenyl)methyl]bicyclo[4.1.0]heptane-7-carboxamide
SMILESO=C(NCc1ccc(O)cc1)C1C2CCCCC21
InChIInChI=1S/C15H19NO2/c17-11-7-5-10(6-8-11)9-16-15(18)14-12-3-1-2-4-13(12)14/h5-8,12-14,17H,1-4,9H2,(H,16,18)
InChIKeyRRXLNCHTIOETDD-UHFFFAOYSA-N
XLogP2.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methyl]bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of N-[(4-hydroxyphenyl)methyl]bicyclo[4.1.0]heptane-7-carboxamide (CID 115681918) is N-[(4-hydroxyphenyl)methyl]bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methyl]bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methyl]bicyclo[4.1.0]heptane-7-carboxamide is O=C(NCc1ccc(O)cc1)C1C2CCCCC21.
What is the InChIKey of N-[(4-hydroxyphenyl)methyl]bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is RRXLNCHTIOETDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c17-11-7-5-10(6-8-11)9-16-15(18)14-12-3-1-2-4-13(12)14/h5-8,12-14,17H,1-4,9H2,(H,16,18).
What are the key properties of N-[(4-hydroxyphenyl)methyl]bicyclo[4.1.0]heptane-7-carboxamide?
N-[(4-hydroxyphenyl)methyl]bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 245.32 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methyl]bicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 115681918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).