(4-amino-1-cyclopropylpyrrol-2-yl)-(3-ethylpyrrolidin-1-yl)methanone

C14H21N3O — CID 113416742

IUPAC(4-amino-1-cyclopropylpyrrol-2-yl)-(3-ethylpyrrolidin-1-yl)methanone
SMILESCCC1CCN(C(=O)c2cc(N)cn2C2CC2)C1
InChIInChI=1S/C14H21N3O/c1-2-10-5-6-16(8-10)14(18)13-7-11(15)9-17(13)12-3-4-12/h7,9-10,12H,2-6,8,15H2,1H3
InChIKeyBSLRZQMROUKKNT-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.28
Rot. Bonds3

About (4-amino-1-cyclopropylpyrrol-2-yl)-(3-ethylpyrrolidin-1-yl)methanone

(4-amino-1-cyclopropylpyrrol-2-yl)-(3-ethylpyrrolidin-1-yl)methanone (PubChem CID 113416742) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (4-amino-1-cyclopropylpyrrol-2-yl)-(3-ethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-cyclopropylpyrrol-2-yl)-(3-ethylpyrrolidin-1-yl)methanone
PubChem CID113416742
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(4-amino-1-cyclopropylpyrrol-2-yl)-(3-ethylpyrrolidin-1-yl)methanone
SMILESCCC1CCN(C(=O)c2cc(N)cn2C2CC2)C1
InChIInChI=1S/C14H21N3O/c1-2-10-5-6-16(8-10)14(18)13-7-11(15)9-17(13)12-3-4-12/h7,9-10,12H,2-6,8,15H2,1H3
InChIKeyBSLRZQMROUKKNT-UHFFFAOYSA-N
XLogP2.28
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-1-cyclopropylpyrrol-2-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64568402
(4-amino-1-cyclopropylpyrrol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43644082
1-[4-(4-amino-1-cyclopropylpyrrole-2-carbonyl)piperazin-1-yl]ethanone
CID 43642310
(4-amino-1-cyclopropylpyrrol-2-yl)-(4-tert-butylpiperidin-1-yl)methanone
CID 62090534
(4-amino-1-cyclopropylpyrrol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 61114321
7-(4-amino-1-cyclopropylpyrrole-2-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79095542
(5-amino-2-methylphenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 113416759
(4-amino-3,5-dichlorophenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 112548037
(4-amino-2-chlorophenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 113267297
1-ethyl-5-(3-ethylpyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
CID 114612465
ethoxymethyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 65366812
4-amino-1-cyclopropyl-N-(1-methylpyrrolidin-3-yl)pyrrole-2-carboxamide
CID 54949762

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-cyclopropylpyrrol-2-yl)-(3-ethylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-amino-1-cyclopropylpyrrol-2-yl)-(3-ethylpyrrolidin-1-yl)methanone (CID 113416742) is (4-amino-1-cyclopropylpyrrol-2-yl)-(3-ethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-amino-1-cyclopropylpyrrol-2-yl)-(3-ethylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-amino-1-cyclopropylpyrrol-2-yl)-(3-ethylpyrrolidin-1-yl)methanone is CCC1CCN(C(=O)c2cc(N)cn2C2CC2)C1.
What is the InChIKey of (4-amino-1-cyclopropylpyrrol-2-yl)-(3-ethylpyrrolidin-1-yl)methanone?
The InChIKey is BSLRZQMROUKKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-10-5-6-16(8-10)14(18)13-7-11(15)9-17(13)12-3-4-12/h7,9-10,12H,2-6,8,15H2,1H3.
What are the key properties of (4-amino-1-cyclopropylpyrrol-2-yl)-(3-ethylpyrrolidin-1-yl)methanone?
(4-amino-1-cyclopropylpyrrol-2-yl)-(3-ethylpyrrolidin-1-yl)methanone has a molecular weight of 247.34 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-cyclopropylpyrrol-2-yl)-(3-ethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 113416742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).