[(2S)-2-(aminomethyl)-2,5-dihydropyrrol-1-yl]-phenylmethanone

C12H14N2O — CID 68890298

IUPAC[(2S)-2-(aminomethyl)-2,5-dihydropyrrol-1-yl]-phenylmethanone
SMILESNC[C@@H]1C=CCN1C(=O)c1ccccc1
InChIInChI=1S/C12H14N2O/c13-9-11-7-4-8-14(11)12(15)10-5-2-1-3-6-10/h1-7,11H,8-9,13H2/t11-/m0/s1
InChIKeyZTQUNGZCWUGUFK-NSHDSACASA-N
MW202.26 g/mol
LogP1.03
Rot. Bonds2

About [(2S)-2-(aminomethyl)-2,5-dihydropyrrol-1-yl]-phenylmethanone

[(2S)-2-(aminomethyl)-2,5-dihydropyrrol-1-yl]-phenylmethanone (PubChem CID 68890298) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is [(2S)-2-(aminomethyl)-2,5-dihydropyrrol-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(2S)-2-(aminomethyl)-2,5-dihydropyrrol-1-yl]-phenylmethanone
PubChem CID68890298
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name[(2S)-2-(aminomethyl)-2,5-dihydropyrrol-1-yl]-phenylmethanone
SMILESNC[C@@H]1C=CCN1C(=O)c1ccccc1
InChIInChI=1S/C12H14N2O/c13-9-11-7-4-8-14(11)12(15)10-5-2-1-3-6-10/h1-7,11H,8-9,13H2/t11-/m0/s1
InChIKeyZTQUNGZCWUGUFK-NSHDSACASA-N
XLogP1.03
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

amino-[(1-benzoyl-2,5-dihydropyrrol-2-yl)methyl]carbamic acid
CID 174487355
prop-2-enyl N-amino-N-[(1-benzoyl-2,5-dihydropyrrol-2-yl)methyl]carbamate
CID 68887239
2-[(1-benzoyl-2,5-dihydropyrrole-2-carbonyl)amino]acetic acid
CID 570963
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone
CID 28706917
methyl (2S)-2-phenacyl-2,5-dihydropyrrole-1-carboxylate
CID 163183549
[4-[(2S)-2-ethyl-2,5-dihydropyrrole-1-carbonyl]phenyl]-morpholin-4-ylmethanone
CID 164638599
1-(4-phenyldiazenylbenzoyl)-2,5-dihydropyrrole-2-carboxamide
CID 610745
[4-(aminomethyl)-2-fluoropiperidin-1-yl]-phenylmethanone
CID 142777776
(1-methyl-5-phenylpyrrol-2-yl)-[(2R)-2-propyl-2,5-dihydropyrrol-1-yl]methanone
CID 99928048
(2-ethyl-2,5-dihydropyrrol-1-yl)-[3-(2-propan-2-yl-1,3-thiazol-5-yl)phenyl]methanone
CID 122562918
[3-(aminomethyl)-8-azabicyclo[3.2.1]octan-8-yl]-phenylmethanone
CID 22001682
(3,5-dichloro-4-methoxyphenyl)-(2-ethyl-2,5-dihydropyrrol-1-yl)methanone
CID 131928651

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(aminomethyl)-2,5-dihydropyrrol-1-yl]-phenylmethanone?
The IUPAC name of [(2S)-2-(aminomethyl)-2,5-dihydropyrrol-1-yl]-phenylmethanone (CID 68890298) is [(2S)-2-(aminomethyl)-2,5-dihydropyrrol-1-yl]-phenylmethanone.
What is the SMILES notation for [(2S)-2-(aminomethyl)-2,5-dihydropyrrol-1-yl]-phenylmethanone?
The canonical SMILES for [(2S)-2-(aminomethyl)-2,5-dihydropyrrol-1-yl]-phenylmethanone is NC[C@@H]1C=CCN1C(=O)c1ccccc1.
What is the InChIKey of [(2S)-2-(aminomethyl)-2,5-dihydropyrrol-1-yl]-phenylmethanone?
The InChIKey is ZTQUNGZCWUGUFK-NSHDSACASA-N. The full InChI is InChI=1S/C12H14N2O/c13-9-11-7-4-8-14(11)12(15)10-5-2-1-3-6-10/h1-7,11H,8-9,13H2/t11-/m0/s1.
What are the key properties of [(2S)-2-(aminomethyl)-2,5-dihydropyrrol-1-yl]-phenylmethanone?
[(2S)-2-(aminomethyl)-2,5-dihydropyrrol-1-yl]-phenylmethanone has a molecular weight of 202.26 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(aminomethyl)-2,5-dihydropyrrol-1-yl]-phenylmethanone is sourced from PubChem (CID 68890298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).