methyl 1-[(dimethylamino)methyl]cyclobutane-1-carboxylate

C9H17NO2 — CID 10535185

IUPACmethyl 1-[(dimethylamino)methyl]cyclobutane-1-carboxylate
SMILESCOC(=O)C1(CN(C)C)CCC1
InChIInChI=1S/C9H17NO2/c1-10(2)7-9(5-4-6-9)8(11)12-3/h4-7H2,1-3H3
InChIKeyQGKRBXOOKCZJKQ-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.89
Rot. Bonds3

About methyl 1-[(dimethylamino)methyl]cyclobutane-1-carboxylate

methyl 1-[(dimethylamino)methyl]cyclobutane-1-carboxylate (PubChem CID 10535185) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is methyl 1-[(dimethylamino)methyl]cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(dimethylamino)methyl]cyclobutane-1-carboxylate
PubChem CID10535185
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namemethyl 1-[(dimethylamino)methyl]cyclobutane-1-carboxylate
SMILESCOC(=O)C1(CN(C)C)CCC1
InChIInChI=1S/C9H17NO2/c1-10(2)7-9(5-4-6-9)8(11)12-3/h4-7H2,1-3H3
InChIKeyQGKRBXOOKCZJKQ-UHFFFAOYSA-N
XLogP0.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[(dimethylamino)methyl]cyclobutane-1-carboxylate?
The IUPAC name of methyl 1-[(dimethylamino)methyl]cyclobutane-1-carboxylate (CID 10535185) is methyl 1-[(dimethylamino)methyl]cyclobutane-1-carboxylate.
What is the SMILES notation for methyl 1-[(dimethylamino)methyl]cyclobutane-1-carboxylate?
The canonical SMILES for methyl 1-[(dimethylamino)methyl]cyclobutane-1-carboxylate is COC(=O)C1(CN(C)C)CCC1.
What is the InChIKey of methyl 1-[(dimethylamino)methyl]cyclobutane-1-carboxylate?
The InChIKey is QGKRBXOOKCZJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-10(2)7-9(5-4-6-9)8(11)12-3/h4-7H2,1-3H3.
What are the key properties of methyl 1-[(dimethylamino)methyl]cyclobutane-1-carboxylate?
methyl 1-[(dimethylamino)methyl]cyclobutane-1-carboxylate has a molecular weight of 171.24 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(dimethylamino)methyl]cyclobutane-1-carboxylate is sourced from PubChem (CID 10535185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).