[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone

C12H16N2O — CID 28706917

IUPAC[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone
SMILESNC[C@@H]1CCCN1C(=O)c1ccccc1
InChIInChI=1S/C12H16N2O/c13-9-11-7-4-8-14(11)12(15)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,13H2/t11-/m0/s1
InChIKeyYHXDELLZIAKIIF-NSHDSACASA-N
MW204.27 g/mol
LogP1.25
Rot. Bonds2

About [(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone

[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone (PubChem CID 28706917) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is [(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone
PubChem CID28706917
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone
SMILESNC[C@@H]1CCCN1C(=O)c1ccccc1
InChIInChI=1S/C12H16N2O/c13-9-11-7-4-8-14(11)12(15)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,13H2/t11-/m0/s1
InChIKeyYHXDELLZIAKIIF-NSHDSACASA-N
XLogP1.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromophenyl)methanone
CID 66861500
(2-ethylpyrrolidin-1-yl)-phenylmethanone
CID 20577009
[2-(aminomethyl)pyrrolidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone
CID 119632417
N-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide
CID 119633913
[2-(aminomethyl)piperidin-1-yl]-(4-aminophenyl)methanone
CID 122080310
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 28706941
[2-(aminomethyl)piperidin-1-yl]-(3-phenoxyphenyl)methanone;hydrochloride
CID 119467327
[2-(aminomethyl)pyrrolidin-1-yl]-(2-chlorophenyl)methanone
CID 81482963
[2-(aminomethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 55210990
[2-(aminomethyl)pyrrolidin-1-yl]-(4-nitrophenyl)methanone
CID 81482483
[2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone
CID 134408479
[2-(aminomethyl)pyrrolidin-1-yl]-(4-methylsulfanylphenyl)methanone;hydrochloride
CID 119630987

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone?
The IUPAC name of [(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone (CID 28706917) is [(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone.
What is the SMILES notation for [(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone?
The canonical SMILES for [(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone is NC[C@@H]1CCCN1C(=O)c1ccccc1.
What is the InChIKey of [(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone?
The InChIKey is YHXDELLZIAKIIF-NSHDSACASA-N. The full InChI is InChI=1S/C12H16N2O/c13-9-11-7-4-8-14(11)12(15)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,13H2/t11-/m0/s1.
What are the key properties of [(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone?
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone has a molecular weight of 204.27 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone is sourced from PubChem (CID 28706917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).