(4-amino-1-cyclopropylpyrrol-2-yl)-(oxazinan-2-yl)methanone

C12H17N3O2 — CID 113375296

IUPAC(4-amino-1-cyclopropylpyrrol-2-yl)-(oxazinan-2-yl)methanone
SMILESNc1cc(C(=O)N2CCCCO2)n(C2CC2)c1
InChIInChI=1S/C12H17N3O2/c13-9-7-11(14(8-9)10-3-4-10)12(16)15-5-1-2-6-17-15/h7-8,10H,1-6,13H2
InChIKeyCAJVJRSGCLREKR-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.57
Rot. Bonds2

About (4-amino-1-cyclopropylpyrrol-2-yl)-(oxazinan-2-yl)methanone

(4-amino-1-cyclopropylpyrrol-2-yl)-(oxazinan-2-yl)methanone (PubChem CID 113375296) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is (4-amino-1-cyclopropylpyrrol-2-yl)-(oxazinan-2-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-cyclopropylpyrrol-2-yl)-(oxazinan-2-yl)methanone
PubChem CID113375296
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name(4-amino-1-cyclopropylpyrrol-2-yl)-(oxazinan-2-yl)methanone
SMILESNc1cc(C(=O)N2CCCCO2)n(C2CC2)c1
InChIInChI=1S/C12H17N3O2/c13-9-7-11(14(8-9)10-3-4-10)12(16)15-5-1-2-6-17-15/h7-8,10H,1-6,13H2
InChIKeyCAJVJRSGCLREKR-UHFFFAOYSA-N
XLogP1.57
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-amino-1-cyclopropylpyrrole-2-carbonyl)piperazin-1-yl]ethanone
CID 43642310
(4-amino-1-cyclopropylpyrrol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43644082
(4-amino-1-cyclopropylpyrrol-2-yl)-(4-tert-butylpiperidin-1-yl)methanone
CID 62090534
7-(4-amino-1-cyclopropylpyrrole-2-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79095542
(4-amino-1-cyclopropylpyrrol-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 43642130
(4-amino-1-cyclopropylpyrrol-2-yl)-(3-ethylpyrrolidin-1-yl)methanone
CID 113416742
2-hydroxyethyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 61314738
(4-amino-1-cyclopropylpyrrol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 61114321
(4-amino-1-cyclopropylpyrrol-2-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102882182
4-amino-1-cyclopropyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrole-2-carboxamide
CID 107864320
(4-amino-1-cyclopropylpyrrol-2-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64568402
4-amino-1-cyclopropyl-N-[(1S,2S)-2-hydroxycyclohexyl]pyrrole-2-carboxamide
CID 107211253

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-cyclopropylpyrrol-2-yl)-(oxazinan-2-yl)methanone?
The IUPAC name of (4-amino-1-cyclopropylpyrrol-2-yl)-(oxazinan-2-yl)methanone (CID 113375296) is (4-amino-1-cyclopropylpyrrol-2-yl)-(oxazinan-2-yl)methanone.
What is the SMILES notation for (4-amino-1-cyclopropylpyrrol-2-yl)-(oxazinan-2-yl)methanone?
The canonical SMILES for (4-amino-1-cyclopropylpyrrol-2-yl)-(oxazinan-2-yl)methanone is Nc1cc(C(=O)N2CCCCO2)n(C2CC2)c1.
What is the InChIKey of (4-amino-1-cyclopropylpyrrol-2-yl)-(oxazinan-2-yl)methanone?
The InChIKey is CAJVJRSGCLREKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-9-7-11(14(8-9)10-3-4-10)12(16)15-5-1-2-6-17-15/h7-8,10H,1-6,13H2.
What are the key properties of (4-amino-1-cyclopropylpyrrol-2-yl)-(oxazinan-2-yl)methanone?
(4-amino-1-cyclopropylpyrrol-2-yl)-(oxazinan-2-yl)methanone has a molecular weight of 235.29 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-cyclopropylpyrrol-2-yl)-(oxazinan-2-yl)methanone is sourced from PubChem (CID 113375296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).