(6-methyl-3-bicyclo[3.1.0]hexanyl)-(2-propan-2-yl-4-pyridinyl)methanone

C16H21NO — CID 167541026

IUPAC(6-methyl-3-bicyclo[3.1.0]hexanyl)-(2-propan-2-yl-4-pyridinyl)methanone
SMILESCC(C)c1cc(C(=O)C2CC3C(C)C3C2)ccn1
InChIInChI=1S/C16H21NO/c1-9(2)15-8-11(4-5-17-15)16(18)12-6-13-10(3)14(13)7-12/h4-5,8-10,12-14H,6-7H2,1-3H3
InChIKeyDMBYBQLRPBIBME-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.68
Rot. Bonds3

About (6-methyl-3-bicyclo[3.1.0]hexanyl)-(2-propan-2-yl-4-pyridinyl)methanone

(6-methyl-3-bicyclo[3.1.0]hexanyl)-(2-propan-2-yl-4-pyridinyl)methanone (PubChem CID 167541026) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is (6-methyl-3-bicyclo[3.1.0]hexanyl)-(2-propan-2-yl-4-pyridinyl)methanone.

Molecular Properties

Compound Name(6-methyl-3-bicyclo[3.1.0]hexanyl)-(2-propan-2-yl-4-pyridinyl)methanone
PubChem CID167541026
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name(6-methyl-3-bicyclo[3.1.0]hexanyl)-(2-propan-2-yl-4-pyridinyl)methanone
SMILESCC(C)c1cc(C(=O)C2CC3C(C)C3C2)ccn1
InChIInChI=1S/C16H21NO/c1-9(2)15-8-11(4-5-17-15)16(18)12-6-13-10(3)14(13)7-12/h4-5,8-10,12-14H,6-7H2,1-3H3
InChIKeyDMBYBQLRPBIBME-UHFFFAOYSA-N
XLogP3.68
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-3-bicyclo[3.1.0]hexanyl)-(2-propan-2-yl-4-pyridinyl)methanone?
The IUPAC name of (6-methyl-3-bicyclo[3.1.0]hexanyl)-(2-propan-2-yl-4-pyridinyl)methanone (CID 167541026) is (6-methyl-3-bicyclo[3.1.0]hexanyl)-(2-propan-2-yl-4-pyridinyl)methanone.
What is the SMILES notation for (6-methyl-3-bicyclo[3.1.0]hexanyl)-(2-propan-2-yl-4-pyridinyl)methanone?
The canonical SMILES for (6-methyl-3-bicyclo[3.1.0]hexanyl)-(2-propan-2-yl-4-pyridinyl)methanone is CC(C)c1cc(C(=O)C2CC3C(C)C3C2)ccn1.
What is the InChIKey of (6-methyl-3-bicyclo[3.1.0]hexanyl)-(2-propan-2-yl-4-pyridinyl)methanone?
The InChIKey is DMBYBQLRPBIBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-9(2)15-8-11(4-5-17-15)16(18)12-6-13-10(3)14(13)7-12/h4-5,8-10,12-14H,6-7H2,1-3H3.
What are the key properties of (6-methyl-3-bicyclo[3.1.0]hexanyl)-(2-propan-2-yl-4-pyridinyl)methanone?
(6-methyl-3-bicyclo[3.1.0]hexanyl)-(2-propan-2-yl-4-pyridinyl)methanone has a molecular weight of 243.35 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-3-bicyclo[3.1.0]hexanyl)-(2-propan-2-yl-4-pyridinyl)methanone is sourced from PubChem (CID 167541026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).