1-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]ethanone

C14H18N2O2 — CID 119483313

IUPAC1-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]ethanone
SMILESCC(=O)c1ccccc1C(=O)N1CCC(CN)C1
InChIInChI=1S/C14H18N2O2/c1-10(17)12-4-2-3-5-13(12)14(18)16-7-6-11(8-15)9-16/h2-5,11H,6-9,15H2,1H3
InChIKeyNIVVMTPVLHHSBT-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.31
Rot. Bonds3

About 1-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]ethanone

1-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]ethanone (PubChem CID 119483313) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]ethanone
PubChem CID119483313
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]ethanone
SMILESCC(=O)c1ccccc1C(=O)N1CCC(CN)C1
InChIInChI=1S/C14H18N2O2/c1-10(17)12-4-2-3-5-13(12)14(18)16-7-6-11(8-15)9-16/h2-5,11H,6-9,15H2,1H3
InChIKeyNIVVMTPVLHHSBT-UHFFFAOYSA-N
XLogP1.31
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(aminomethyl)pyrrolidin-1-yl]-(2-nitrophenyl)methanone
CID 55030749
1-(2-acetylbenzoyl)pyrrolidine-3-carboxylic acid
CID 119353894
[3-(aminomethyl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 119486562
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[2-(2-ethoxyphenoxy)phenyl]methanone
CID 124611885
[3-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-2-fluorophenyl)methanone
CID 81264813
[3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethylphenyl)methanone
CID 55030892
[3-(aminomethyl)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 79217119
[4-(aminomethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone;hydrochloride
CID 166451635
2-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 119483296
[3-(aminomethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 119486906
2-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]sulfanyl-N-propan-2-ylacetamide;hydrochloride
CID 119483769
1-(2-acetylbenzoyl)piperidine-4-carbonitrile
CID 91781325

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]ethanone?
The IUPAC name of 1-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]ethanone (CID 119483313) is 1-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]ethanone.
What is the SMILES notation for 1-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]ethanone?
The canonical SMILES for 1-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]ethanone is CC(=O)c1ccccc1C(=O)N1CCC(CN)C1.
What is the InChIKey of 1-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]ethanone?
The InChIKey is NIVVMTPVLHHSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10(17)12-4-2-3-5-13(12)14(18)16-7-6-11(8-15)9-16/h2-5,11H,6-9,15H2,1H3.
What are the key properties of 1-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]ethanone?
1-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]ethanone has a molecular weight of 246.31 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]ethanone is sourced from PubChem (CID 119483313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).