[3-(methylamino)-3-oxopropyl] 4,5-dichloro-1H-pyrrole-2-carboxylate

C9H10Cl2N2O3 — CID 71978770

IUPAC[3-(methylamino)-3-oxopropyl] 4,5-dichloro-1H-pyrrole-2-carboxylate
SMILESCNC(=O)CCOC(=O)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C9H10Cl2N2O3/c1-12-7(14)2-3-16-9(15)6-4-5(10)8(11)13-6/h4,13H,2-3H2,1H3,(H,12,14)
InChIKeyMEOLBTOEOJNBDM-UHFFFAOYSA-N
MW265.10 g/mol
LogP1.61
Rot. Bonds4

About [3-(methylamino)-3-oxopropyl] 4,5-dichloro-1H-pyrrole-2-carboxylate

[3-(methylamino)-3-oxopropyl] 4,5-dichloro-1H-pyrrole-2-carboxylate (PubChem CID 71978770) has the molecular formula C9H10Cl2N2O3 and a molecular weight of 265.10 g/mol. Its IUPAC name is [3-(methylamino)-3-oxopropyl] 4,5-dichloro-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Name[3-(methylamino)-3-oxopropyl] 4,5-dichloro-1H-pyrrole-2-carboxylate
PubChem CID71978770
Molecular FormulaC9H10Cl2N2O3
Molecular Weight265.10 g/mol
Exact Mass264.01
IUPAC Name[3-(methylamino)-3-oxopropyl] 4,5-dichloro-1H-pyrrole-2-carboxylate
SMILESCNC(=O)CCOC(=O)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C9H10Cl2N2O3/c1-12-7(14)2-3-16-9(15)6-4-5(10)8(11)13-6/h4,13H,2-3H2,1H3,(H,12,14)
InChIKeyMEOLBTOEOJNBDM-UHFFFAOYSA-N
XLogP1.61
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.10
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

propyl 4,5-dichloro-1H-pyrrole-2-carboxylate
CID 78846725
[3-(methylamino)-3-oxopropyl] 5-amino-2-chlorobenzoate
CID 62326124
[3-(methylamino)-3-oxopropyl] 4-amino-3-chlorobenzoate
CID 82786855
propan-2-yl 4,5-dichloro-1H-pyrrole-2-carboxylate
CID 112725038
ethyl 4-chloro-5-methyl-1H-pyrrole-2-carboxylate
CID 66707189
[4-(methylamino)-4-oxobutyl] 4-amino-3-chlorobenzoate
CID 82786860
[3-(methylamino)-3-oxopropyl] 3-bromo-5-methylbenzoate
CID 86815652
methyl 2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952949
methyl [3-(methylamino)-3-oxopropyl] carbonate
CID 118406273
[3-(methylamino)-3-oxopropyl] 5,6-dimethyl-1-benzofuran-2-carboxylate
CID 86804105
[3-(methylamino)-3-oxopropyl] 4-amino-1-ethylpyrrole-2-carboxylate
CID 62326291
[3-(methylamino)-3-oxopropyl] 5-amino-2-methoxybenzoate
CID 55060431

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)-3-oxopropyl] 4,5-dichloro-1H-pyrrole-2-carboxylate?
The IUPAC name of [3-(methylamino)-3-oxopropyl] 4,5-dichloro-1H-pyrrole-2-carboxylate (CID 71978770) is [3-(methylamino)-3-oxopropyl] 4,5-dichloro-1H-pyrrole-2-carboxylate.
What is the SMILES notation for [3-(methylamino)-3-oxopropyl] 4,5-dichloro-1H-pyrrole-2-carboxylate?
The canonical SMILES for [3-(methylamino)-3-oxopropyl] 4,5-dichloro-1H-pyrrole-2-carboxylate is CNC(=O)CCOC(=O)c1cc(Cl)c(Cl)[nH]1.
What is the InChIKey of [3-(methylamino)-3-oxopropyl] 4,5-dichloro-1H-pyrrole-2-carboxylate?
The InChIKey is MEOLBTOEOJNBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O3/c1-12-7(14)2-3-16-9(15)6-4-5(10)8(11)13-6/h4,13H,2-3H2,1H3,(H,12,14).
What are the key properties of [3-(methylamino)-3-oxopropyl] 4,5-dichloro-1H-pyrrole-2-carboxylate?
[3-(methylamino)-3-oxopropyl] 4,5-dichloro-1H-pyrrole-2-carboxylate has a molecular weight of 265.10 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)-3-oxopropyl] 4,5-dichloro-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 71978770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).