[2-(2-aminoethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone

C11H17N3O — CID 82507381

IUPAC[2-(2-aminoethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
SMILESNCCC1CCCN1C(=O)c1ccc[nH]1
InChIInChI=1S/C11H17N3O/c12-6-5-9-3-2-8-14(9)11(15)10-4-1-7-13-10/h1,4,7,9,13H,2-3,5-6,8,12H2
InChIKeyQRJAPUUBYZSLJM-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.97
Rot. Bonds3

About [2-(2-aminoethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone

[2-(2-aminoethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone (PubChem CID 82507381) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is [2-(2-aminoethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name[2-(2-aminoethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
PubChem CID82507381
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name[2-(2-aminoethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
SMILESNCCC1CCCN1C(=O)c1ccc[nH]1
InChIInChI=1S/C11H17N3O/c12-6-5-9-3-2-8-14(9)11(15)10-4-1-7-13-10/h1,4,7,9,13H,2-3,5-6,8,12H2
InChIKeyQRJAPUUBYZSLJM-UHFFFAOYSA-N
XLogP0.97
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(methylaminomethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone;hydrochloride
CID 119649627
6-[2-(2-aminoethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 113322539
[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 56779357
[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 95604019
[2-(2-aminoethyl)piperidin-1-yl]-(2,3-dihydroxyphenyl)methanone
CID 114345040
[2-(2-aminoethyl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 82507773
[2-(2-aminoethyl)piperidin-1-yl]-[1-(2-methoxyethyl)pyrrol-2-yl]methanone
CID 114610328
[2-(2-aminoethyl)piperidin-1-yl]-[1-(2,2-difluoroethyl)pyrrol-2-yl]methanone
CID 114610326
3-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 66262185
[2-(2-aminoethyl)piperidin-1-yl]-(3-chloro-2-methylphenyl)methanone
CID 107098180
[2-(2-aminoethyl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 63755191
5-[2-(3-aminopropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 114041022

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone?
The IUPAC name of [2-(2-aminoethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone (CID 82507381) is [2-(2-aminoethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for [2-(2-aminoethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for [2-(2-aminoethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone is NCCC1CCCN1C(=O)c1ccc[nH]1.
What is the InChIKey of [2-(2-aminoethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone?
The InChIKey is QRJAPUUBYZSLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c12-6-5-9-3-2-8-14(9)11(15)10-4-1-7-13-10/h1,4,7,9,13H,2-3,5-6,8,12H2.
What are the key properties of [2-(2-aminoethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone?
[2-(2-aminoethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone has a molecular weight of 207.28 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 82507381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).