(2-chlorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate

C15H15ClN2O2 — CID 61308313

IUPAC(2-chlorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
SMILESNc1cc(C(=O)OCc2ccccc2Cl)n(C2CC2)c1
InChIInChI=1S/C15H15ClN2O2/c16-13-4-2-1-3-10(13)9-20-15(19)14-7-11(17)8-18(14)12-5-6-12/h1-4,7-8,12H,5-6,9,17H2
InChIKeyMUHVDKYZJKHFOQ-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.42
Rot. Bonds4

About (2-chlorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate

(2-chlorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate (PubChem CID 61308313) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is (2-chlorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
PubChem CID61308313
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name(2-chlorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
SMILESNc1cc(C(=O)OCc2ccccc2Cl)n(C2CC2)c1
InChIInChI=1S/C15H15ClN2O2/c16-13-4-2-1-3-10(13)9-20-15(19)14-7-11(17)8-18(14)12-5-6-12/h1-4,7-8,12H,5-6,9,17H2
InChIKeyMUHVDKYZJKHFOQ-UHFFFAOYSA-N
XLogP3.42
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate?
The IUPAC name of (2-chlorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate (CID 61308313) is (2-chlorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate.
What is the SMILES notation for (2-chlorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate?
The canonical SMILES for (2-chlorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate is Nc1cc(C(=O)OCc2ccccc2Cl)n(C2CC2)c1.
What is the InChIKey of (2-chlorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate?
The InChIKey is MUHVDKYZJKHFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c16-13-4-2-1-3-10(13)9-20-15(19)14-7-11(17)8-18(14)12-5-6-12/h1-4,7-8,12H,5-6,9,17H2.
What are the key properties of (2-chlorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate?
(2-chlorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate has a molecular weight of 290.75 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate is sourced from PubChem (CID 61308313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).