methyl 4-(cyclohexanecarbonylamino)-1-methylpyrrole-2-carboxylate

C14H20N2O3 — CID 84585796

IUPACmethyl 4-(cyclohexanecarbonylamino)-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1cc(NC(=O)C2CCCCC2)cn1C
InChIInChI=1S/C14H20N2O3/c1-16-9-11(8-12(16)14(18)19-2)15-13(17)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H,15,17)
InChIKeyDDORSJHQSIVLME-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.33
Rot. Bonds3

About methyl 4-(cyclohexanecarbonylamino)-1-methylpyrrole-2-carboxylate

methyl 4-(cyclohexanecarbonylamino)-1-methylpyrrole-2-carboxylate (PubChem CID 84585796) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 4-(cyclohexanecarbonylamino)-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(cyclohexanecarbonylamino)-1-methylpyrrole-2-carboxylate
PubChem CID84585796
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 4-(cyclohexanecarbonylamino)-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1cc(NC(=O)C2CCCCC2)cn1C
InChIInChI=1S/C14H20N2O3/c1-16-9-11(8-12(16)14(18)19-2)15-13(17)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H,15,17)
InChIKeyDDORSJHQSIVLME-UHFFFAOYSA-N
XLogP2.33
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Boc-amino)-1-methyl-1H-pyrrole-2-carboxylic Acid
CID 2735636
[2-Oxo-2-(4-phenylbutan-2-ylamino)ethyl] 1-methylpyrrole-2-carboxylate
CID 4991839
Ethyl 4-[bis(2-chloroethyl)amino]-1-methyl-1H-pyrrole-2-carboxylate
CID 14526090
[2-Oxo-2-(3-phenylpropylamino)ethyl] 1-methylpyrrole-2-carboxylate
CID 2440943
[2-Oxo-2-(2-phenylethylamino)ethyl] 1-methylpyrrole-2-carboxylate
CID 2629246
[2-[(2-Methylcyclohexyl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 4041504
Methyl 1-methyl-4-(1-methyl-4-nitropyrrole-2-carboxamido)pyrrole-2-carboxylate
CID 592893
methyl 4-amino-1-methyl-1H-pyrrole-2-carboxylate hydrochloride
CID 2794656
2-Phenylethyl 4-[[4-(methoxycarbonylamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate
CID 44249788
methyl 3-(adamantane-1-carbonylamino)-1H-pyrrole-2-carboxylate
CID 155568851
Methyl 4-amino-1-methyl-1H-pyrrole-2-carboxylate
CID 2794657
4-[[4-(Methoxycarbonylamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid
CID 23541315

Frequently Asked Questions

What is the IUPAC name of methyl 4-(cyclohexanecarbonylamino)-1-methylpyrrole-2-carboxylate?
The IUPAC name of methyl 4-(cyclohexanecarbonylamino)-1-methylpyrrole-2-carboxylate (CID 84585796) is methyl 4-(cyclohexanecarbonylamino)-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-(cyclohexanecarbonylamino)-1-methylpyrrole-2-carboxylate?
The canonical SMILES for methyl 4-(cyclohexanecarbonylamino)-1-methylpyrrole-2-carboxylate is COC(=O)c1cc(NC(=O)C2CCCCC2)cn1C.
What is the InChIKey of methyl 4-(cyclohexanecarbonylamino)-1-methylpyrrole-2-carboxylate?
The InChIKey is DDORSJHQSIVLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-16-9-11(8-12(16)14(18)19-2)15-13(17)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H,15,17).
What are the key properties of methyl 4-(cyclohexanecarbonylamino)-1-methylpyrrole-2-carboxylate?
methyl 4-(cyclohexanecarbonylamino)-1-methylpyrrole-2-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(cyclohexanecarbonylamino)-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 84585796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).