1-[3-(aminomethyl)phenyl]pyrrolidin-2-one;hydrochloride

C11H15ClN2O — CID 68967881

IUPAC1-[3-(aminomethyl)phenyl]pyrrolidin-2-one;hydrochloride
SMILESCl.NCc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C11H14N2O.ClH/c12-8-9-3-1-4-10(7-9)13-6-2-5-11(13)14;/h1,3-4,7H,2,5-6,8,12H2;1H
InChIKeyPZTMPHAGWUWPIF-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.69
Rot. Bonds2

About 1-[3-(aminomethyl)phenyl]pyrrolidin-2-one;hydrochloride

1-[3-(aminomethyl)phenyl]pyrrolidin-2-one;hydrochloride (PubChem CID 68967881) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]pyrrolidin-2-one;hydrochloride
PubChem CID68967881
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name1-[3-(aminomethyl)phenyl]pyrrolidin-2-one;hydrochloride
SMILESCl.NCc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C11H14N2O.ClH/c12-8-9-3-1-4-10(7-9)13-6-2-5-11(13)14;/h1,3-4,7H,2,5-6,8,12H2;1H
InChIKeyPZTMPHAGWUWPIF-UHFFFAOYSA-N
XLogP1.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[(chloroamino)methyl]phenyl]pyrrolidin-2-one
CID 88577305
1-[3-(methoxymethyl)phenyl]pyrrolidin-2-one
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ethane;1-(3-ethylphenyl)piperidin-2-one
CID 171523765
1-[3-(ethylaminomethyl)phenyl]pyrrolidin-2-one
CID 63272633
1-[3-(methylaminomethyl)phenyl]piperidin-2-one
CID 63272190
1-(3-hydroxyphenyl)pyrrolidin-2-one
CID 736761
1-[3-[3-(2-oxopyrrolidin-1-yl)phenoxy]phenyl]pyrrolidin-2-one
CID 142760205
1-[3-[(propan-2-ylamino)methyl]phenyl]piperidin-2-one
CID 113352085
4-[[[3-(2-oxopyrrolidin-1-yl)phenyl]methylamino]methyl]benzoic acid
CID 122030295
4-amino-3-methoxy-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide;hydrochloride
CID 120588846
4-amino-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide;hydrochloride
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4-(2-oxopyrrolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 39003599

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]pyrrolidin-2-one;hydrochloride?
The IUPAC name of 1-[3-(aminomethyl)phenyl]pyrrolidin-2-one;hydrochloride (CID 68967881) is 1-[3-(aminomethyl)phenyl]pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]pyrrolidin-2-one;hydrochloride is Cl.NCc1cccc(N2CCCC2=O)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]pyrrolidin-2-one;hydrochloride?
The InChIKey is PZTMPHAGWUWPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O.ClH/c12-8-9-3-1-4-10(7-9)13-6-2-5-11(13)14;/h1,3-4,7H,2,5-6,8,12H2;1H.
What are the key properties of 1-[3-(aminomethyl)phenyl]pyrrolidin-2-one;hydrochloride?
1-[3-(aminomethyl)phenyl]pyrrolidin-2-one;hydrochloride has a molecular weight of 226.71 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 68967881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).