(2,3-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone

C16H23NO — CID 106982352

IUPAC(2,3-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
SMILESCc1cccc(C(=O)C2(C(C)C)CCNC2)c1C
InChIInChI=1S/C16H23NO/c1-11(2)16(8-9-17-10-16)15(18)14-7-5-6-12(3)13(14)4/h5-7,11,17H,8-10H2,1-4H3
InChIKeyNLNYVNZANZLKPP-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.12
Rot. Bonds3

About (2,3-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone

(2,3-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone (PubChem CID 106982352) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (2,3-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(2,3-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
PubChem CID106982352
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(2,3-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
SMILESCc1cccc(C(=O)C2(C(C)C)CCNC2)c1C
InChIInChI=1S/C16H23NO/c1-11(2)16(8-9-17-10-16)15(18)14-7-5-6-12(3)13(14)4/h5-7,11,17H,8-10H2,1-4H3
InChIKeyNLNYVNZANZLKPP-UHFFFAOYSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methoxy-3,4-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982309
(4-fluoro-2-methylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982245
(4-methoxy-2,5-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982073
(3-propan-2-yloxyphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982068
2-(3-methylphenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
CID 106982052
(2,5-dimethoxyphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982097
(2,3-dimethylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
CID 114970137
(2,3-dimethylphenyl)-(3-propylpiperidin-3-yl)methanone
CID 116569681
(3-propan-2-ylpyrrolidin-3-yl)-pyrimidin-5-ylmethanone
CID 106982102
(7-chloro-1-benzofuran-2-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982166
(2-methoxy-4,6-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982144
2-(azetidin-3-yl)-1-(2,3-dimethylphenyl)propan-1-one
CID 116680775

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The IUPAC name of (2,3-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone (CID 106982352) is (2,3-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (2,3-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The canonical SMILES for (2,3-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone is Cc1cccc(C(=O)C2(C(C)C)CCNC2)c1C.
What is the InChIKey of (2,3-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The InChIKey is NLNYVNZANZLKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-11(2)16(8-9-17-10-16)15(18)14-7-5-6-12(3)13(14)4/h5-7,11,17H,8-10H2,1-4H3.
What are the key properties of (2,3-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
(2,3-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone has a molecular weight of 245.37 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 106982352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).