propyl 1-carbamoylpyrrole-2-carboxylate

C9H12N2O3 — CID 174427053

IUPACpropyl 1-carbamoylpyrrole-2-carboxylate
SMILESCCCOC(=O)c1cccn1C(N)=O
InChIInChI=1S/C9H12N2O3/c1-2-6-14-8(12)7-4-3-5-11(7)9(10)13/h3-5H,2,6H2,1H3,(H2,10,13)
InChIKeyUJCZGBRWHKSECY-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.98
Rot. Bonds3

About propyl 1-carbamoylpyrrole-2-carboxylate

propyl 1-carbamoylpyrrole-2-carboxylate (PubChem CID 174427053) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is propyl 1-carbamoylpyrrole-2-carboxylate.

Molecular Properties

Compound Namepropyl 1-carbamoylpyrrole-2-carboxylate
PubChem CID174427053
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Namepropyl 1-carbamoylpyrrole-2-carboxylate
SMILESCCCOC(=O)c1cccn1C(N)=O
InChIInChI=1S/C9H12N2O3/c1-2-6-14-8(12)7-4-3-5-11(7)9(10)13/h3-5H,2,6H2,1H3,(H2,10,13)
InChIKeyUJCZGBRWHKSECY-UHFFFAOYSA-N
XLogP0.98
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propyl 1-(2,2,2-trifluoroethyl)pyrrole-2-carboxylate
CID 114609419
1-carbamoylpyrrole-2-carboxylic acid
CID 69235908
3-(1-methylpyrrole-2-carbonyl)oxypropyl 1-methylpyrrole-2-carboxylate
CID 55400779
butyl 1-(2,2,2-trifluoroethyl)pyrrole-2-carboxylate
CID 114609431
tetrapropyl naphthalene-1,4,5,8-tetracarboxylate
CID 21270260
dipropyl naphthalene-1,4-dicarboxylate
CID 139070160
diphenyl-(4-propoxycarbonylphenyl)sulfanium
CID 164747685
ethyl 1-(methylamino)pyrrole-2-carboxylate
CID 90307328
potassium 2-propoxycarbonylbenzenesulfonate
CID 87060428
ethyl 1-formylpyrrole-2-carboxylate
CID 69374156
2,3-bis(propoxycarbonyl)benzoic acid
CID 91156488
propyl 2-methylbenzoate
CID 23432654

Frequently Asked Questions

What is the IUPAC name of propyl 1-carbamoylpyrrole-2-carboxylate?
The IUPAC name of propyl 1-carbamoylpyrrole-2-carboxylate (CID 174427053) is propyl 1-carbamoylpyrrole-2-carboxylate.
What is the SMILES notation for propyl 1-carbamoylpyrrole-2-carboxylate?
The canonical SMILES for propyl 1-carbamoylpyrrole-2-carboxylate is CCCOC(=O)c1cccn1C(N)=O.
What is the InChIKey of propyl 1-carbamoylpyrrole-2-carboxylate?
The InChIKey is UJCZGBRWHKSECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-2-6-14-8(12)7-4-3-5-11(7)9(10)13/h3-5H,2,6H2,1H3,(H2,10,13).
What are the key properties of propyl 1-carbamoylpyrrole-2-carboxylate?
propyl 1-carbamoylpyrrole-2-carboxylate has a molecular weight of 196.21 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 1-carbamoylpyrrole-2-carboxylate is sourced from PubChem (CID 174427053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).