[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-benzofuran-3-yl)methanone

C15H18N2O2 — CID 120808215

IUPAC[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-benzofuran-3-yl)methanone
SMILESCC1(CN)CCN(C(=O)c2coc3ccccc23)C1
InChIInChI=1S/C15H18N2O2/c1-15(9-16)6-7-17(10-15)14(18)12-8-19-13-5-3-2-4-11(12)13/h2-5,8H,6-7,9-10,16H2,1H3
InChIKeyCPHGBNRBDCYXDU-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.24
Rot. Bonds2

About [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-benzofuran-3-yl)methanone

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-benzofuran-3-yl)methanone (PubChem CID 120808215) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-benzofuran-3-yl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-benzofuran-3-yl)methanone
PubChem CID120808215
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-benzofuran-3-yl)methanone
SMILESCC1(CN)CCN(C(=O)c2coc3ccccc23)C1
InChIInChI=1S/C15H18N2O2/c1-15(9-16)6-7-17(10-15)14(18)12-8-19-13-5-3-2-4-11(12)13/h2-5,8H,6-7,9-10,16H2,1H3
InChIKeyCPHGBNRBDCYXDU-UHFFFAOYSA-N
XLogP2.24
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzofuran-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
CID 119259234
4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-methylquinolin-2-one
CID 120809193
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,2-dihydroacenaphthylen-5-yl)methanone
CID 120804153
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,3-difluorophenyl)methanone
CID 120805675
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-bromo-2-hydroxyphenyl)methanone;hydrochloride
CID 120806998
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2-propan-2-yloxyphenyl)methanone
CID 120804729
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2-nitrophenyl)methanone;hydrochloride
CID 120804354
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,3-dichlorophenyl)methanone;hydrochloride
CID 120806072
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-bromo-2-chlorophenyl)methanone;hydrochloride
CID 120808782
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(N-methylanilino)phenyl]methanone;hydrochloride
CID 120810010
N-[2-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide
CID 120804617
1-benzofuran-3-yl-(3-bromopyrrolidin-1-yl)methanone
CID 80677908

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-benzofuran-3-yl)methanone?
The IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-benzofuran-3-yl)methanone (CID 120808215) is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-benzofuran-3-yl)methanone.
What is the SMILES notation for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-benzofuran-3-yl)methanone?
The canonical SMILES for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-benzofuran-3-yl)methanone is CC1(CN)CCN(C(=O)c2coc3ccccc23)C1.
What is the InChIKey of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-benzofuran-3-yl)methanone?
The InChIKey is CPHGBNRBDCYXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-15(9-16)6-7-17(10-15)14(18)12-8-19-13-5-3-2-4-11(12)13/h2-5,8H,6-7,9-10,16H2,1H3.
What are the key properties of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-benzofuran-3-yl)methanone?
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-benzofuran-3-yl)methanone has a molecular weight of 258.32 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-benzofuran-3-yl)methanone is sourced from PubChem (CID 120808215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).