tert-butyl N-[(1-methylcyclopropyl)methyl]-N-(2-oxoethyl)carbamate;methane

C13H25NO3 — CID 143848647

IUPACtert-butyl N-[(1-methylcyclopropyl)methyl]-N-(2-oxoethyl)carbamate;methane
SMILESC.CC1(CN(CC=O)C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H21NO3.CH4/c1-11(2,3)16-10(15)13(7-8-14)9-12(4)5-6-12;/h8H,5-7,9H2,1-4H3;1H4
InChIKeyMSXVXMMHSVUGRG-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.86
Rot. Bonds4

About tert-butyl N-[(1-methylcyclopropyl)methyl]-N-(2-oxoethyl)carbamate;methane

tert-butyl N-[(1-methylcyclopropyl)methyl]-N-(2-oxoethyl)carbamate;methane (PubChem CID 143848647) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is tert-butyl N-[(1-methylcyclopropyl)methyl]-N-(2-oxoethyl)carbamate;methane.

Molecular Properties

Compound Nametert-butyl N-[(1-methylcyclopropyl)methyl]-N-(2-oxoethyl)carbamate;methane
PubChem CID143848647
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nametert-butyl N-[(1-methylcyclopropyl)methyl]-N-(2-oxoethyl)carbamate;methane
SMILESC.CC1(CN(CC=O)C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H21NO3.CH4/c1-11(2,3)16-10(15)13(7-8-14)9-12(4)5-6-12;/h8H,5-7,9H2,1-4H3;1H4
InChIKeyMSXVXMMHSVUGRG-UHFFFAOYSA-N
XLogP2.86
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(2-methylcyclopropyl)methyl]-N-(2-oxoethyl)carbamate
CID 139293232
ethyl 3-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]propanoate
CID 130281670
tert-butyl N-(2-oxoethyl)-N-[(E)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enyl]carbamate
CID 174072908
acetaldehyde;acetylene;tert-butyl N,N-diethylcarbamate
CID 143752017
tert-butyl N,N-bis(prop-2-ynyl)carbamate;methane;N-prop-2-ynylprop-2-yn-1-amine
CID 158412865
tert-butyl N-(cyanomethyl)-N-prop-2-ynylcarbamate
CID 130483940
tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2-oxoethyl)carbamate
CID 10665354
methyl (E)-3-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]prop-2-enoate
CID 101189531
tert-butyl N-(2-hydroxyethyl)-N-[2-[2-hydroxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate
CID 554102
tert-butyl N,N-bis(2-fluoroethyl)carbamate
CID 142420542
tert-butyl N-(cyanomethyl)-N-[2-[cyanomethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate
CID 23299905
tert-butyl N-nonan-4-yl-N-(2-oxoethyl)carbamate
CID 175449353

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1-methylcyclopropyl)methyl]-N-(2-oxoethyl)carbamate;methane?
The IUPAC name of tert-butyl N-[(1-methylcyclopropyl)methyl]-N-(2-oxoethyl)carbamate;methane (CID 143848647) is tert-butyl N-[(1-methylcyclopropyl)methyl]-N-(2-oxoethyl)carbamate;methane.
What is the SMILES notation for tert-butyl N-[(1-methylcyclopropyl)methyl]-N-(2-oxoethyl)carbamate;methane?
The canonical SMILES for tert-butyl N-[(1-methylcyclopropyl)methyl]-N-(2-oxoethyl)carbamate;methane is C.CC1(CN(CC=O)C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[(1-methylcyclopropyl)methyl]-N-(2-oxoethyl)carbamate;methane?
The InChIKey is MSXVXMMHSVUGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3.CH4/c1-11(2,3)16-10(15)13(7-8-14)9-12(4)5-6-12;/h8H,5-7,9H2,1-4H3;1H4.
What are the key properties of tert-butyl N-[(1-methylcyclopropyl)methyl]-N-(2-oxoethyl)carbamate;methane?
tert-butyl N-[(1-methylcyclopropyl)methyl]-N-(2-oxoethyl)carbamate;methane has a molecular weight of 243.35 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1-methylcyclopropyl)methyl]-N-(2-oxoethyl)carbamate;methane is sourced from PubChem (CID 143848647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).