ethyl N-(2,2-dimethylpent-4-enyl)carbamate

C10H19NO2 — CID 10559434

IUPACethyl N-(2,2-dimethylpent-4-enyl)carbamate
SMILESC=CCC(C)(C)CNC(=O)OCC
InChIInChI=1S/C10H19NO2/c1-5-7-10(3,4)8-11-9(12)13-6-2/h5H,1,6-8H2,2-4H3,(H,11,12)
InChIKeyVRVKWXWVBCTEQD-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.33
Rot. Bonds5

About ethyl N-(2,2-dimethylpent-4-enyl)carbamate

ethyl N-(2,2-dimethylpent-4-enyl)carbamate (PubChem CID 10559434) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is ethyl N-(2,2-dimethylpent-4-enyl)carbamate.

Molecular Properties

Compound Nameethyl N-(2,2-dimethylpent-4-enyl)carbamate
PubChem CID10559434
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nameethyl N-(2,2-dimethylpent-4-enyl)carbamate
SMILESC=CCC(C)(C)CNC(=O)OCC
InChIInChI=1S/C10H19NO2/c1-5-7-10(3,4)8-11-9(12)13-6-2/h5H,1,6-8H2,2-4H3,(H,11,12)
InChIKeyVRVKWXWVBCTEQD-UHFFFAOYSA-N
XLogP2.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 79006290
ethyl N-[3-(ethoxycarbonylamino)-2,2-bis[(ethoxycarbonylamino)methyl]propyl]carbamate
CID 87374449
ethyl N-(4-chloro-2,2-dimethyl-3-oxobutyl)carbamate
CID 104701774
ethyl 2-amino-2-methylpent-4-enoate
CID 10103394
ethyl 5-hydroxy-5-methyl-4-oxooct-7-enoate
CID 101044650
ethyl N-(2-chloro-3,3-dimethylbutyl)carbamate
CID 15577177
ethyl (2S)-2-acetyl-2-methylpent-4-enoate
CID 10943138
ethyl 2-acetyl-2-methylpent-4-enoate
CID 10910217
azane;ethyl N-ethylcarbamate
CID 88547448
methyl N-[3-(methoxycarbonylamino)-2,2-dimethylpropyl]carbamate
CID 2165580
methyl 2-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoate
CID 10658806
ethyl N-[(2R)-2-hydroxyhex-5-enyl]carbamate
CID 90216301

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2,2-dimethylpent-4-enyl)carbamate?
The IUPAC name of ethyl N-(2,2-dimethylpent-4-enyl)carbamate (CID 10559434) is ethyl N-(2,2-dimethylpent-4-enyl)carbamate.
What is the SMILES notation for ethyl N-(2,2-dimethylpent-4-enyl)carbamate?
The canonical SMILES for ethyl N-(2,2-dimethylpent-4-enyl)carbamate is C=CCC(C)(C)CNC(=O)OCC.
What is the InChIKey of ethyl N-(2,2-dimethylpent-4-enyl)carbamate?
The InChIKey is VRVKWXWVBCTEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-7-10(3,4)8-11-9(12)13-6-2/h5H,1,6-8H2,2-4H3,(H,11,12).
What are the key properties of ethyl N-(2,2-dimethylpent-4-enyl)carbamate?
ethyl N-(2,2-dimethylpent-4-enyl)carbamate has a molecular weight of 185.27 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2,2-dimethylpent-4-enyl)carbamate is sourced from PubChem (CID 10559434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).