(3-anilinopyrrolidin-1-yl)-cyclopropylmethanone

C14H18N2O — CID 134813424

IUPAC(3-anilinopyrrolidin-1-yl)-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCC(Nc2ccccc2)C1
InChIInChI=1S/C14H18N2O/c17-14(11-6-7-11)16-9-8-13(10-16)15-12-4-2-1-3-5-12/h1-5,11,13,15H,6-10H2
InChIKeyLOUXVBBHHSFLDW-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.11
Rot. Bonds3

About (3-anilinopyrrolidin-1-yl)-cyclopropylmethanone

(3-anilinopyrrolidin-1-yl)-cyclopropylmethanone (PubChem CID 134813424) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is (3-anilinopyrrolidin-1-yl)-cyclopropylmethanone.

Molecular Properties

Compound Name(3-anilinopyrrolidin-1-yl)-cyclopropylmethanone
PubChem CID134813424
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name(3-anilinopyrrolidin-1-yl)-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCC(Nc2ccccc2)C1
InChIInChI=1S/C14H18N2O/c17-14(11-6-7-11)16-9-8-13(10-16)15-12-4-2-1-3-5-12/h1-5,11,13,15H,6-10H2
InChIKeyLOUXVBBHHSFLDW-UHFFFAOYSA-N
XLogP2.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-anilinopiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide
CID 45219648
cyclopropyl-[(3R)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]methanone
CID 175863488
1-benzyl-3-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea
CID 110874685
4-(3-anilinopyrrolidine-1-carbonyl)-1-(4-methylsulfanylphenyl)pyrrolidin-2-one
CID 56503822
benzyl (3R)-3-anilinopyrrolidine-1-carboxylate
CID 171854263
(3R)-3-anilino-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide
CID 95239711
(3S)-3-(4-aminoanilino)pyrrolidine-1-carboxylic acid
CID 66738310
1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 46653762
(Z)-1-[(3R)-3-anilinopyrrolidin-1-yl]-3-quinoxalin-2-ylprop-2-en-1-one
CID 98499166
(3S)-3-(4-bromoanilino)pyrrolidine-1-carboxylic acid
CID 170189829
(3R)-3-anilino-N-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide
CID 95150905
1-(3-anilinopyrrolidin-1-yl)-2-(4-tert-butylphenyl)ethane-1,2-dione
CID 56502423

Frequently Asked Questions

What is the IUPAC name of (3-anilinopyrrolidin-1-yl)-cyclopropylmethanone?
The IUPAC name of (3-anilinopyrrolidin-1-yl)-cyclopropylmethanone (CID 134813424) is (3-anilinopyrrolidin-1-yl)-cyclopropylmethanone.
What is the SMILES notation for (3-anilinopyrrolidin-1-yl)-cyclopropylmethanone?
The canonical SMILES for (3-anilinopyrrolidin-1-yl)-cyclopropylmethanone is O=C(C1CC1)N1CCC(Nc2ccccc2)C1.
What is the InChIKey of (3-anilinopyrrolidin-1-yl)-cyclopropylmethanone?
The InChIKey is LOUXVBBHHSFLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c17-14(11-6-7-11)16-9-8-13(10-16)15-12-4-2-1-3-5-12/h1-5,11,13,15H,6-10H2.
What are the key properties of (3-anilinopyrrolidin-1-yl)-cyclopropylmethanone?
(3-anilinopyrrolidin-1-yl)-cyclopropylmethanone has a molecular weight of 230.31 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-anilinopyrrolidin-1-yl)-cyclopropylmethanone is sourced from PubChem (CID 134813424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).