methyl 4-(methylamino)cyclohexene-1-carboxylate

C9H15NO2 — CID 15496374

IUPACmethyl 4-(methylamino)cyclohexene-1-carboxylate
SMILESCNC1CC=C(C(=O)OC)CC1
InChIInChI=1S/C9H15NO2/c1-10-8-5-3-7(4-6-8)9(11)12-2/h3,8,10H,4-6H2,1-2H3
InChIKeyBDHVSGQSUWSIED-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.86
Rot. Bonds2

About methyl 4-(methylamino)cyclohexene-1-carboxylate

methyl 4-(methylamino)cyclohexene-1-carboxylate (PubChem CID 15496374) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is methyl 4-(methylamino)cyclohexene-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(methylamino)cyclohexene-1-carboxylate
PubChem CID15496374
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Namemethyl 4-(methylamino)cyclohexene-1-carboxylate
SMILESCNC1CC=C(C(=O)OC)CC1
InChIInChI=1S/C9H15NO2/c1-10-8-5-3-7(4-6-8)9(11)12-2/h3,8,10H,4-6H2,1-2H3
InChIKeyBDHVSGQSUWSIED-UHFFFAOYSA-N
XLogP0.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(methylamino)cyclohexene-1-carboxylate?
The IUPAC name of methyl 4-(methylamino)cyclohexene-1-carboxylate (CID 15496374) is methyl 4-(methylamino)cyclohexene-1-carboxylate.
What is the SMILES notation for methyl 4-(methylamino)cyclohexene-1-carboxylate?
The canonical SMILES for methyl 4-(methylamino)cyclohexene-1-carboxylate is CNC1CC=C(C(=O)OC)CC1.
What is the InChIKey of methyl 4-(methylamino)cyclohexene-1-carboxylate?
The InChIKey is BDHVSGQSUWSIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-10-8-5-3-7(4-6-8)9(11)12-2/h3,8,10H,4-6H2,1-2H3.
What are the key properties of methyl 4-(methylamino)cyclohexene-1-carboxylate?
methyl 4-(methylamino)cyclohexene-1-carboxylate has a molecular weight of 169.22 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(methylamino)cyclohexene-1-carboxylate is sourced from PubChem (CID 15496374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).