[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone

C14H16N2O2 — CID 62063378

IUPAC[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone
SMILESNCC1CCN(C(=O)c2cc3ccccc3o2)C1
InChIInChI=1S/C14H16N2O2/c15-8-10-5-6-16(9-10)14(17)13-7-11-3-1-2-4-12(11)18-13/h1-4,7,10H,5-6,8-9,15H2
InChIKeyCOOOJTLWCBRCSD-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.85
Rot. Bonds2

About [3-(aminomethyl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone

[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone (PubChem CID 62063378) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is [3-(aminomethyl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone
PubChem CID62063378
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone
SMILESNCC1CCN(C(=O)c2cc3ccccc3o2)C1
InChIInChI=1S/C14H16N2O2/c15-8-10-5-6-16(9-10)14(17)13-7-11-3-1-2-4-12(11)18-13/h1-4,7,10H,5-6,8-9,15H2
InChIKeyCOOOJTLWCBRCSD-UHFFFAOYSA-N
XLogP1.85
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminopyrrolidin-1-yl)-(1-benzofuran-2-yl)methanone;hydrochloride
CID 119482537
1-benzofuran-2-yl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63263992
1-benzofuran-2-yl-[4-(chloromethyl)piperidin-1-yl]methanone
CID 55188193
(3-aminoazetidin-1-yl)-(1-benzofuran-2-yl)methanone
CID 63755277
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(5,6-dimethyl-1-benzofuran-2-yl)methanone
CID 124611196
1-benzofuran-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248546
3-[3-[(3R)-3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]chromen-2-one
CID 95216159
1-benzofuran-2-yl-(3-bromopiperidin-1-yl)methanone
CID 80660959
1-benzofuran-2-yl-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79403971
1-benzofuran-2-yl-(4-chloro-3-methylpiperidin-1-yl)methanone
CID 114683163
1-benzofuran-2-yl-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone
CID 154576332
1-benzofuran-2-yl-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 49096129

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone?
The IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone (CID 62063378) is [3-(aminomethyl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone.
What is the SMILES notation for [3-(aminomethyl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone?
The canonical SMILES for [3-(aminomethyl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone is NCC1CCN(C(=O)c2cc3ccccc3o2)C1.
What is the InChIKey of [3-(aminomethyl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone?
The InChIKey is COOOJTLWCBRCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c15-8-10-5-6-16(9-10)14(17)13-7-11-3-1-2-4-12(11)18-13/h1-4,7,10H,5-6,8-9,15H2.
What are the key properties of [3-(aminomethyl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone?
[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone has a molecular weight of 244.29 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone is sourced from PubChem (CID 62063378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).