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

C18H26ClN3O2 — CID 120804112

IUPAC1-[[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride
SMILESCC1(CN)CCN(C(=O)c2cccc(CN3CCCC3=O)c2)C1.Cl
InChIInChI=1S/C18H25N3O2.ClH/c1-18(12-19)7-9-21(13-18)17(23)15-5-2-4-14(10-15)11-20-8-3-6-16(20)22;/h2,4-5,10H,3,6-9,11-13,19H2,1H3;1H
InChIKeyJWKYDSFJVDFDPL-UHFFFAOYSA-N
MW351.88 g/mol
LogP2.04
Rot. Bonds4

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

1-[[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride (PubChem CID 120804112) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is 1-[[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride
PubChem CID120804112
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC Name1-[[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride
SMILESCC1(CN)CCN(C(=O)c2cccc(CN3CCCC3=O)c2)C1.Cl
InChIInChI=1S/C18H25N3O2.ClH/c1-18(12-19)7-9-21(13-18)17(23)15-5-2-4-14(10-15)11-20-8-3-6-16(20)22;/h2,4-5,10H,3,6-9,11-13,19H2,1H3;1H
InChIKeyJWKYDSFJVDFDPL-UHFFFAOYSA-N
XLogP2.04
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride?
The IUPAC name of 1-[[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride (CID 120804112) is 1-[[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 1-[[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 1-[[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride is CC1(CN)CCN(C(=O)c2cccc(CN3CCCC3=O)c2)C1.Cl.
What is the InChIKey of 1-[[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride?
The InChIKey is JWKYDSFJVDFDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2.ClH/c1-18(12-19)7-9-21(13-18)17(23)15-5-2-4-14(10-15)11-20-8-3-6-16(20)22;/h2,4-5,10H,3,6-9,11-13,19H2,1H3;1H.
What are the key properties of 1-[[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride?
1-[[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride has a molecular weight of 351.88 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 120804112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).