ethyl N-[1,2,2-trimethyl-3-(3-methylbut-2-enyl)cyclopropyl]carbamate

C14H25NO2 — CID 134171968

IUPACethyl N-[1,2,2-trimethyl-3-(3-methylbut-2-enyl)cyclopropyl]carbamate
SMILESCCOC(=O)NC1(C)C(CC=C(C)C)C1(C)C
InChIInChI=1S/C14H25NO2/c1-7-17-12(16)15-14(6)11(13(14,4)5)9-8-10(2)3/h8,11H,7,9H2,1-6H3,(H,15,16)
InChIKeyOMTLVINSVAYFOT-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.50
Rot. Bonds4

About ethyl N-[1,2,2-trimethyl-3-(3-methylbut-2-enyl)cyclopropyl]carbamate

ethyl N-[1,2,2-trimethyl-3-(3-methylbut-2-enyl)cyclopropyl]carbamate (PubChem CID 134171968) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is ethyl N-[1,2,2-trimethyl-3-(3-methylbut-2-enyl)cyclopropyl]carbamate.

Molecular Properties

Compound Nameethyl N-[1,2,2-trimethyl-3-(3-methylbut-2-enyl)cyclopropyl]carbamate
PubChem CID134171968
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Nameethyl N-[1,2,2-trimethyl-3-(3-methylbut-2-enyl)cyclopropyl]carbamate
SMILESCCOC(=O)NC1(C)C(CC=C(C)C)C1(C)C
InChIInChI=1S/C14H25NO2/c1-7-17-12(16)15-14(6)11(13(14,4)5)9-8-10(2)3/h8,11H,7,9H2,1-6H3,(H,15,16)
InChIKeyOMTLVINSVAYFOT-UHFFFAOYSA-N
XLogP3.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.50
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-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]carbamate
CID 58895292
ethyl N-(4-hydroxy-4-methylcyclohexyl)carbamate
CID 22273026
ethyl N-[(3E,7E,11E,15E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaenyl]carbamate
CID 53467733
ethyl N-[(3S)-3,7-dimethyloct-6-enyl]carbamate
CID 125470360
ethyl N-[[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]carbamate
CID 31339526
ethyl N-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]carbamate
CID 31339522
methyl 1-(ethoxycarbonylamino)-2,2-dimethylcyclopropane-1-carboxylate
CID 10081997
cobalt;ethyl N-(ethoxycarbonylcarbamoyl)carbamate
CID 160975753
ethyl N-(4,8-dimethylnon-7-enyl)carbamate
CID 89346957
ethyl N-(1-methylcyclopropyl)carbamate;fluorocyclopentane
CID 169143693
ethyl N-hydroxycarbamate
CID 11510
ethyl N-propylcarbamate
CID 12199

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1,2,2-trimethyl-3-(3-methylbut-2-enyl)cyclopropyl]carbamate?
The IUPAC name of ethyl N-[1,2,2-trimethyl-3-(3-methylbut-2-enyl)cyclopropyl]carbamate (CID 134171968) is ethyl N-[1,2,2-trimethyl-3-(3-methylbut-2-enyl)cyclopropyl]carbamate.
What is the SMILES notation for ethyl N-[1,2,2-trimethyl-3-(3-methylbut-2-enyl)cyclopropyl]carbamate?
The canonical SMILES for ethyl N-[1,2,2-trimethyl-3-(3-methylbut-2-enyl)cyclopropyl]carbamate is CCOC(=O)NC1(C)C(CC=C(C)C)C1(C)C.
What is the InChIKey of ethyl N-[1,2,2-trimethyl-3-(3-methylbut-2-enyl)cyclopropyl]carbamate?
The InChIKey is OMTLVINSVAYFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-7-17-12(16)15-14(6)11(13(14,4)5)9-8-10(2)3/h8,11H,7,9H2,1-6H3,(H,15,16).
What are the key properties of ethyl N-[1,2,2-trimethyl-3-(3-methylbut-2-enyl)cyclopropyl]carbamate?
ethyl N-[1,2,2-trimethyl-3-(3-methylbut-2-enyl)cyclopropyl]carbamate has a molecular weight of 239.36 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1,2,2-trimethyl-3-(3-methylbut-2-enyl)cyclopropyl]carbamate is sourced from PubChem (CID 134171968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).