methyl N-(2-methylpropylidene)carbamate

C6H11NO2 — CID 173382905

IUPACmethyl N-(2-methylpropylidene)carbamate
SMILESCOC(=O)N=CC(C)C
InChIInChI=1S/C6H11NO2/c1-5(2)4-7-6(8)9-3/h4-5H,1-3H3
InChIKeySYSAPTSKPQOVHK-UHFFFAOYSA-N
MW129.16 g/mol
LogP1.48
Rot. Bonds1

About methyl N-(2-methylpropylidene)carbamate

methyl N-(2-methylpropylidene)carbamate (PubChem CID 173382905) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is methyl N-(2-methylpropylidene)carbamate.

Molecular Properties

Compound Namemethyl N-(2-methylpropylidene)carbamate
PubChem CID173382905
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Namemethyl N-(2-methylpropylidene)carbamate
SMILESCOC(=O)N=CC(C)C
InChIInChI=1S/C6H11NO2/c1-5(2)4-7-6(8)9-3/h4-5H,1-3H3
InChIKeySYSAPTSKPQOVHK-UHFFFAOYSA-N
XLogP1.48
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

methyl (NE)-N-(2-ethyl-3-oxobutylidene)carbamate
CID 143848589
N-[1,3-dichloro-1-(2-methylpropylideneamino)buta-1,3-dien-2-yl]-2-methoxyacetamide
CID 123957452
methyl 2-aminopropanoate
CID 159707893
methyl (Z)-5-methylhex-3-enoate
CID 117268010
methyl N-(dimethylaminomethylidene)carbamate;1-methyl-3-(4-methylpentan-2-yl)urea
CID 173451617
(E)-2-methoxy-4-methylpent-2-enal
CID 123990097
2-methylpropyl N-(2-methylpropylideneamino)carbamate
CID 123852161
N-(2-methoxy-2-oxoethyl)-2-methylpropan-1-imine oxide
CID 135060618
methyl N-[2-(1,3-dithian-2-ylidene)propylidene]carbamate
CID 54552539
dimethyl carbonate;ethane
CID 160632176
2-chloropropane;methyl acetate
CID 157293612
methyl N-(1,2,2,2-tetrachloroethylidene)carbamate
CID 73186639

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-methylpropylidene)carbamate?
The IUPAC name of methyl N-(2-methylpropylidene)carbamate (CID 173382905) is methyl N-(2-methylpropylidene)carbamate.
What is the SMILES notation for methyl N-(2-methylpropylidene)carbamate?
The canonical SMILES for methyl N-(2-methylpropylidene)carbamate is COC(=O)N=CC(C)C.
What is the InChIKey of methyl N-(2-methylpropylidene)carbamate?
The InChIKey is SYSAPTSKPQOVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-5(2)4-7-6(8)9-3/h4-5H,1-3H3.
What are the key properties of methyl N-(2-methylpropylidene)carbamate?
methyl N-(2-methylpropylidene)carbamate has a molecular weight of 129.16 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-methylpropylidene)carbamate is sourced from PubChem (CID 173382905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).