7-phenylbicyclo[3.1.1]heptane-6-carboxamide

C14H17NO — CID 3264055

IUPAC7-phenylbicyclo[3.1.1]heptane-6-carboxamide
SMILESNC(=O)C1C2CCCC1C2c1ccccc1
InChIInChI=1S/C14H17NO/c15-14(16)13-10-7-4-8-11(13)12(10)9-5-2-1-3-6-9/h1-3,5-6,10-13H,4,7-8H2,(H2,15,16)
InChIKeyMPCWVJUCAGFELW-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.30
Rot. Bonds2

About 7-phenylbicyclo[3.1.1]heptane-6-carboxamide

7-phenylbicyclo[3.1.1]heptane-6-carboxamide (PubChem CID 3264055) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 7-phenylbicyclo[3.1.1]heptane-6-carboxamide.

Molecular Properties

Compound Name7-phenylbicyclo[3.1.1]heptane-6-carboxamide
PubChem CID3264055
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name7-phenylbicyclo[3.1.1]heptane-6-carboxamide
SMILESNC(=O)C1C2CCCC1C2c1ccccc1
InChIInChI=1S/C14H17NO/c15-14(16)13-10-7-4-8-11(13)12(10)9-5-2-1-3-6-9/h1-3,5-6,10-13H,4,7-8H2,(H2,15,16)
InChIKeyMPCWVJUCAGFELW-UHFFFAOYSA-N
XLogP2.30
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-phenylbicyclo[3.1.1]heptane-6-carboxamide?
The IUPAC name of 7-phenylbicyclo[3.1.1]heptane-6-carboxamide (CID 3264055) is 7-phenylbicyclo[3.1.1]heptane-6-carboxamide.
What is the SMILES notation for 7-phenylbicyclo[3.1.1]heptane-6-carboxamide?
The canonical SMILES for 7-phenylbicyclo[3.1.1]heptane-6-carboxamide is NC(=O)C1C2CCCC1C2c1ccccc1.
What is the InChIKey of 7-phenylbicyclo[3.1.1]heptane-6-carboxamide?
The InChIKey is MPCWVJUCAGFELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c15-14(16)13-10-7-4-8-11(13)12(10)9-5-2-1-3-6-9/h1-3,5-6,10-13H,4,7-8H2,(H2,15,16).
What are the key properties of 7-phenylbicyclo[3.1.1]heptane-6-carboxamide?
7-phenylbicyclo[3.1.1]heptane-6-carboxamide has a molecular weight of 215.30 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenylbicyclo[3.1.1]heptane-6-carboxamide is sourced from PubChem (CID 3264055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).