tert-butyl N-[2-ethyl-1-[(E)-prop-1-enyl]cyclopropyl]carbamate

C13H23NO2 — CID 130004224

IUPACtert-butyl N-[2-ethyl-1-[(E)-prop-1-enyl]cyclopropyl]carbamate
SMILESC/C=C/C1(NC(=O)OC(C)(C)C)CC1CC
InChIInChI=1S/C13H23NO2/c1-6-8-13(9-10(13)7-2)14-11(15)16-12(3,4)5/h6,8,10H,7,9H2,1-5H3,(H,14,15)/b8-6+
InChIKeySRULFWVOVRBEOS-SOFGYWHQSA-N
MW225.33 g/mol
LogP3.26
Rot. Bonds3

About tert-butyl N-[2-ethyl-1-[(E)-prop-1-enyl]cyclopropyl]carbamate

tert-butyl N-[2-ethyl-1-[(E)-prop-1-enyl]cyclopropyl]carbamate (PubChem CID 130004224) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is tert-butyl N-[2-ethyl-1-[(E)-prop-1-enyl]cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-ethyl-1-[(E)-prop-1-enyl]cyclopropyl]carbamate
PubChem CID130004224
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Nametert-butyl N-[2-ethyl-1-[(E)-prop-1-enyl]cyclopropyl]carbamate
SMILESC/C=C/C1(NC(=O)OC(C)(C)C)CC1CC
InChIInChI=1S/C13H23NO2/c1-6-8-13(9-10(13)7-2)14-11(15)16-12(3,4)5/h6,8,10H,7,9H2,1-5H3,(H,14,15)/b8-6+
InChIKeySRULFWVOVRBEOS-SOFGYWHQSA-N
XLogP3.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.26
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

methyl (1S)-2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
CID 59963702
tert-butyl N-[(1R,2S)-1-acetyl-2-ethylcyclopropyl]carbamate
CID 59044921
2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid;methyl 2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
CID 158428152
trans-benzyl (1S,2S)-2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
CID 11023608
ethyl (2R,3R,5S)-5-(hydroxymethyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[2.2]pentane-2-carboxylate
CID 11044328
ethyl (2R,3S,5S)-5-(hydroxymethyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[2.2]pentane-2-carboxylate
CID 10924119
tert-butyl N-[(3R,4S)-4-ethyl-3-methylpyrrolidin-3-yl]carbamate
CID 68861367
ethyl 3,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 170909922
ethane;trans-ethyl (1S,2R)-2-ethenyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
CID 143329843
methyl (1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-oxoethyl)cyclopropane-1-carboxylate
CID 89165047
ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxabicyclo[3.1.0]hexane-3-carboxylate
CID 24729717
ethyl 3-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate
CID 134311846

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-ethyl-1-[(E)-prop-1-enyl]cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[2-ethyl-1-[(E)-prop-1-enyl]cyclopropyl]carbamate (CID 130004224) is tert-butyl N-[2-ethyl-1-[(E)-prop-1-enyl]cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-ethyl-1-[(E)-prop-1-enyl]cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-ethyl-1-[(E)-prop-1-enyl]cyclopropyl]carbamate is C/C=C/C1(NC(=O)OC(C)(C)C)CC1CC.
What is the InChIKey of tert-butyl N-[2-ethyl-1-[(E)-prop-1-enyl]cyclopropyl]carbamate?
The InChIKey is SRULFWVOVRBEOS-SOFGYWHQSA-N. The full InChI is InChI=1S/C13H23NO2/c1-6-8-13(9-10(13)7-2)14-11(15)16-12(3,4)5/h6,8,10H,7,9H2,1-5H3,(H,14,15)/b8-6+.
What are the key properties of tert-butyl N-[2-ethyl-1-[(E)-prop-1-enyl]cyclopropyl]carbamate?
tert-butyl N-[2-ethyl-1-[(E)-prop-1-enyl]cyclopropyl]carbamate has a molecular weight of 225.33 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-ethyl-1-[(E)-prop-1-enyl]cyclopropyl]carbamate is sourced from PubChem (CID 130004224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).