methyl 4-formamidocyclohexane-1-carboxylate

C9H15NO3 — CID 89096292

IUPACmethyl 4-formamidocyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NC=O)CC1
InChIInChI=1S/C9H15NO3/c1-13-9(12)7-2-4-8(5-3-7)10-6-11/h6-8H,2-5H2,1H3,(H,10,11)
InChIKeyHGAZTTFOLNJFNW-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.46
Rot. Bonds3

About methyl 4-formamidocyclohexane-1-carboxylate

methyl 4-formamidocyclohexane-1-carboxylate (PubChem CID 89096292) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl 4-formamidocyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-formamidocyclohexane-1-carboxylate
PubChem CID89096292
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl 4-formamidocyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NC=O)CC1
InChIInChI=1S/C9H15NO3/c1-13-9(12)7-2-4-8(5-3-7)10-6-11/h6-8H,2-5H2,1H3,(H,10,11)
InChIKeyHGAZTTFOLNJFNW-UHFFFAOYSA-N
XLogP0.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

cis-methyl (1S,3R)-3-(methylamino)cyclopentane-1-carboxylate
CID 90378778
methyl 4-(formamidocarbamoylamino)cyclohexane-1-carboxylate
CID 70075440
methyl 4-(cyclopropanecarbonylamino)cyclohexane-1-carboxylate
CID 115617179
dimethyl cycloheptane-1,4-dicarboxylate
CID 139878536
methyl 4-(carbamoylamino)cyclohexane-1-carboxylate
CID 47585856
cis-dimethyl (1R,3S)-cyclopentane-1,3-dicarboxylate
CID 642990
methyl 4-fluorocyclohexane-1-carboxylate
CID 21281592
methyl cyclobutanecarboxylate;hydrate
CID 175300594
methyl 4-(methylsulfamoylamino)cyclohexane-1-carboxylate
CID 114811643
methyl 4-[[dihydroxy(oxo)-λ6-sulfanylidene]-hydroxymethyl]cyclohexane-1-carboxylate
CID 140602376
methyl 3-acetamidocyclopentane-1-carboxylate
CID 67383463
4-O-[4-[4-[4-(4-methoxycarbonylcyclohexanecarbonyl)oxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-methyl cyclohexane-1,4-dicarboxylate
CID 168764542

Frequently Asked Questions

What is the IUPAC name of methyl 4-formamidocyclohexane-1-carboxylate?
The IUPAC name of methyl 4-formamidocyclohexane-1-carboxylate (CID 89096292) is methyl 4-formamidocyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-formamidocyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-formamidocyclohexane-1-carboxylate is COC(=O)C1CCC(NC=O)CC1.
What is the InChIKey of methyl 4-formamidocyclohexane-1-carboxylate?
The InChIKey is HGAZTTFOLNJFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-13-9(12)7-2-4-8(5-3-7)10-6-11/h6-8H,2-5H2,1H3,(H,10,11).
What are the key properties of methyl 4-formamidocyclohexane-1-carboxylate?
methyl 4-formamidocyclohexane-1-carboxylate has a molecular weight of 185.22 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-formamidocyclohexane-1-carboxylate is sourced from PubChem (CID 89096292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).