(2-ethylpyrrolidin-1-yl)-(2-methylphenyl)methanone

C14H19NO — CID 110604637

IUPAC(2-ethylpyrrolidin-1-yl)-(2-methylphenyl)methanone
SMILESCCC1CCCN1C(=O)c1ccccc1C
InChIInChI=1S/C14H19NO/c1-3-12-8-6-10-15(12)14(16)13-9-5-4-7-11(13)2/h4-5,7,9,12H,3,6,8,10H2,1-2H3
InChIKeyHZVHRAWGRJWYOM-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.01
Rot. Bonds2

About (2-ethylpyrrolidin-1-yl)-(2-methylphenyl)methanone

(2-ethylpyrrolidin-1-yl)-(2-methylphenyl)methanone (PubChem CID 110604637) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (2-ethylpyrrolidin-1-yl)-(2-methylphenyl)methanone.

Molecular Properties

Compound Name(2-ethylpyrrolidin-1-yl)-(2-methylphenyl)methanone
PubChem CID110604637
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(2-ethylpyrrolidin-1-yl)-(2-methylphenyl)methanone
SMILESCCC1CCCN1C(=O)c1ccccc1C
InChIInChI=1S/C14H19NO/c1-3-12-8-6-10-15(12)14(16)13-9-5-4-7-11(13)2/h4-5,7,9,12H,3,6,8,10H2,1-2H3
InChIKeyHZVHRAWGRJWYOM-UHFFFAOYSA-N
XLogP3.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-ethylpyrrolidin-1-yl)-(2-iodophenyl)methanone
CID 55137776
(2-bromo-3-methylphenyl)-(2-ethylazepan-1-yl)methanone
CID 107982609
(2-ethylazepan-1-yl)-(2-hydroxyphenyl)methanone
CID 112692526
(5-bromo-2-methylphenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 65309657
(2-ethylpyrrolidin-1-yl)-phenylmethanone
CID 20577009
[2-(bromomethyl)azepan-1-yl]-(2-methylphenyl)methanone
CID 116639448
[2-(aminomethyl)piperidin-1-yl]-(2-methylphenyl)methanone;hydrochloride
CID 119466148
1-(2-ethylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanone
CID 110671107
(2-methylphenyl)-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 29339285
(2-ethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone
CID 110855901
(2-methylphenyl)-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone
CID 40776068
[2-(ethylamino)phenyl]-(2-ethylazepan-1-yl)methanone
CID 104690846

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrrolidin-1-yl)-(2-methylphenyl)methanone?
The IUPAC name of (2-ethylpyrrolidin-1-yl)-(2-methylphenyl)methanone (CID 110604637) is (2-ethylpyrrolidin-1-yl)-(2-methylphenyl)methanone.
What is the SMILES notation for (2-ethylpyrrolidin-1-yl)-(2-methylphenyl)methanone?
The canonical SMILES for (2-ethylpyrrolidin-1-yl)-(2-methylphenyl)methanone is CCC1CCCN1C(=O)c1ccccc1C.
What is the InChIKey of (2-ethylpyrrolidin-1-yl)-(2-methylphenyl)methanone?
The InChIKey is HZVHRAWGRJWYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-3-12-8-6-10-15(12)14(16)13-9-5-4-7-11(13)2/h4-5,7,9,12H,3,6,8,10H2,1-2H3.
What are the key properties of (2-ethylpyrrolidin-1-yl)-(2-methylphenyl)methanone?
(2-ethylpyrrolidin-1-yl)-(2-methylphenyl)methanone has a molecular weight of 217.31 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrrolidin-1-yl)-(2-methylphenyl)methanone is sourced from PubChem (CID 110604637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).