(3-ethylpyrrolidin-3-yl)-(6-methyl-3-pyridinyl)methanone

C13H18N2O — CID 116570190

IUPAC(3-ethylpyrrolidin-3-yl)-(6-methyl-3-pyridinyl)methanone
SMILESCCC1(C(=O)c2ccc(C)nc2)CCNC1
InChIInChI=1S/C13H18N2O/c1-3-13(6-7-14-9-13)12(16)11-5-4-10(2)15-8-11/h4-5,8,14H,3,6-7,9H2,1-2H3
InChIKeyMJUKVZFNJWWELT-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.96
Rot. Bonds3

About (3-ethylpyrrolidin-3-yl)-(6-methyl-3-pyridinyl)methanone

(3-ethylpyrrolidin-3-yl)-(6-methyl-3-pyridinyl)methanone (PubChem CID 116570190) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (3-ethylpyrrolidin-3-yl)-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(3-ethylpyrrolidin-3-yl)-(6-methyl-3-pyridinyl)methanone
PubChem CID116570190
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(3-ethylpyrrolidin-3-yl)-(6-methyl-3-pyridinyl)methanone
SMILESCCC1(C(=O)c2ccc(C)nc2)CCNC1
InChIInChI=1S/C13H18N2O/c1-3-13(6-7-14-9-13)12(16)11-5-4-10(2)15-8-11/h4-5,8,14H,3,6-7,9H2,1-2H3
InChIKeyMJUKVZFNJWWELT-UHFFFAOYSA-N
XLogP1.96
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-ethylpyrrolidin-3-yl)-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of (3-ethylpyrrolidin-3-yl)-(6-methyl-3-pyridinyl)methanone (CID 116570190) is (3-ethylpyrrolidin-3-yl)-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (3-ethylpyrrolidin-3-yl)-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for (3-ethylpyrrolidin-3-yl)-(6-methyl-3-pyridinyl)methanone is CCC1(C(=O)c2ccc(C)nc2)CCNC1.
What is the InChIKey of (3-ethylpyrrolidin-3-yl)-(6-methyl-3-pyridinyl)methanone?
The InChIKey is MJUKVZFNJWWELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-3-13(6-7-14-9-13)12(16)11-5-4-10(2)15-8-11/h4-5,8,14H,3,6-7,9H2,1-2H3.
What are the key properties of (3-ethylpyrrolidin-3-yl)-(6-methyl-3-pyridinyl)methanone?
(3-ethylpyrrolidin-3-yl)-(6-methyl-3-pyridinyl)methanone has a molecular weight of 218.30 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylpyrrolidin-3-yl)-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 116570190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).