(6-methoxycarbonyl-4-methylcyclohex-2-en-1-yl)carbamic acid

C10H15NO4 — CID 19958313

IUPAC(6-methoxycarbonyl-4-methylcyclohex-2-en-1-yl)carbamic acid
SMILESCOC(=O)C1CC(C)C=CC1NC(=O)O
InChIInChI=1S/C10H15NO4/c1-6-3-4-8(11-10(13)14)7(5-6)9(12)15-2/h3-4,6-8,11H,5H2,1-2H3,(H,13,14)
InChIKeyUNUFACQKIXLWFA-UHFFFAOYSA-N
MW213.23 g/mol
LogP1.01
Rot. Bonds2

About (6-methoxycarbonyl-4-methylcyclohex-2-en-1-yl)carbamic acid

(6-methoxycarbonyl-4-methylcyclohex-2-en-1-yl)carbamic acid (PubChem CID 19958313) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is (6-methoxycarbonyl-4-methylcyclohex-2-en-1-yl)carbamic acid.

Molecular Properties

Compound Name(6-methoxycarbonyl-4-methylcyclohex-2-en-1-yl)carbamic acid
PubChem CID19958313
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name(6-methoxycarbonyl-4-methylcyclohex-2-en-1-yl)carbamic acid
SMILESCOC(=O)C1CC(C)C=CC1NC(=O)O
InChIInChI=1S/C10H15NO4/c1-6-3-4-8(11-10(13)14)7(5-6)9(12)15-2/h3-4,6-8,11H,5H2,1-2H3,(H,13,14)
InChIKeyUNUFACQKIXLWFA-UHFFFAOYSA-N
XLogP1.01
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (4R)-4-methylcyclopent-2-ene-1-carboxylate
CID 134358359
(1S,2S,4R,5S)-4,5-dihydroxy-2-methoxycarbonylcyclohexane-1-carboxylic acid
CID 10856936
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
trans-methyl (1S,2S)-2-phenylcyclopropane-1-carboxylate
CID 642984
methyl 5-hydroxy-2-(phenylmethoxycarbonylamino)cyclohex-3-ene-1-carboxylate
CID 20614151
3-methoxycarbonylcyclobutane-1,2-dicarboxylic acid
CID 23208873
3,4-bis(methoxycarbonyl)cyclohexane-1-carboxylic acid
CID 66983998
2-methoxycarbonyl-4-methylcyclohexane-1-carboxylic acid
CID 58841229
dimethyl 6-methylcyclohex-4-ene-1,3-dicarboxylate
CID 58517083
dimethyl (1R,2S,5S)-bicyclo[2.2.1]heptane-2,5-dicarboxylate
CID 174166263
trimethyl (1R,2R,4R)-cyclohexane-1,2,4-tricarboxylate
CID 12616208

Frequently Asked Questions

What is the IUPAC name of (6-methoxycarbonyl-4-methylcyclohex-2-en-1-yl)carbamic acid?
The IUPAC name of (6-methoxycarbonyl-4-methylcyclohex-2-en-1-yl)carbamic acid (CID 19958313) is (6-methoxycarbonyl-4-methylcyclohex-2-en-1-yl)carbamic acid.
What is the SMILES notation for (6-methoxycarbonyl-4-methylcyclohex-2-en-1-yl)carbamic acid?
The canonical SMILES for (6-methoxycarbonyl-4-methylcyclohex-2-en-1-yl)carbamic acid is COC(=O)C1CC(C)C=CC1NC(=O)O.
What is the InChIKey of (6-methoxycarbonyl-4-methylcyclohex-2-en-1-yl)carbamic acid?
The InChIKey is UNUFACQKIXLWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-6-3-4-8(11-10(13)14)7(5-6)9(12)15-2/h3-4,6-8,11H,5H2,1-2H3,(H,13,14).
What are the key properties of (6-methoxycarbonyl-4-methylcyclohex-2-en-1-yl)carbamic acid?
(6-methoxycarbonyl-4-methylcyclohex-2-en-1-yl)carbamic acid has a molecular weight of 213.23 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxycarbonyl-4-methylcyclohex-2-en-1-yl)carbamic acid is sourced from PubChem (CID 19958313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).