(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethanone

C14H17NO — CID 67286105

IUPAC(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethanone
SMILESCN1C2CCC1(C(=O)c1ccccc1)CC2
InChIInChI=1S/C14H17NO/c1-15-12-7-9-14(15,10-8-12)13(16)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3
InChIKeyUROVVGUVJAZTJD-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.50
Rot. Bonds2

About (7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethanone

(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethanone (PubChem CID 67286105) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethanone
PubChem CID67286105
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethanone
SMILESCN1C2CCC1(C(=O)c1ccccc1)CC2
InChIInChI=1S/C14H17NO/c1-15-12-7-9-14(15,10-8-12)13(16)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3
InChIKeyUROVVGUVJAZTJD-UHFFFAOYSA-N
XLogP2.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethanone?
The IUPAC name of (7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethanone (CID 67286105) is (7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethanone.
What is the SMILES notation for (7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethanone?
The canonical SMILES for (7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethanone is CN1C2CCC1(C(=O)c1ccccc1)CC2.
What is the InChIKey of (7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethanone?
The InChIKey is UROVVGUVJAZTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-15-12-7-9-14(15,10-8-12)13(16)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3.
What are the key properties of (7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethanone?
(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethanone has a molecular weight of 215.30 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethanone is sourced from PubChem (CID 67286105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).