tert-butyl N-(3-ethylidenecyclopentyl)carbamate

C12H21NO2 — CID 174757466

IUPACtert-butyl N-(3-ethylidenecyclopentyl)carbamate
SMILESCC=C1CCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H21NO2/c1-5-9-6-7-10(8-9)13-11(14)15-12(2,3)4/h5,10H,6-8H2,1-4H3,(H,13,14)
InChIKeyGDYLUDZCPMSYBN-UHFFFAOYSA-N
MW211.30 g/mol
LogP3.01
Rot. Bonds1

About tert-butyl N-(3-ethylidenecyclopentyl)carbamate

tert-butyl N-(3-ethylidenecyclopentyl)carbamate (PubChem CID 174757466) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is tert-butyl N-(3-ethylidenecyclopentyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-ethylidenecyclopentyl)carbamate
PubChem CID174757466
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Nametert-butyl N-(3-ethylidenecyclopentyl)carbamate
SMILESCC=C1CCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H21NO2/c1-5-9-6-7-10(8-9)13-11(14)15-12(2,3)4/h5,10H,6-8H2,1-4H3,(H,13,14)
InChIKeyGDYLUDZCPMSYBN-UHFFFAOYSA-N
XLogP3.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 53.01
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

2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentylidene]acetic acid
CID 175325953
tert-butyl N-[(3E)-3-(hydroxymethylidene)cyclohexyl]carbamate
CID 139566496
tert-butyl N-(7-methyl-3-bicyclo[4.1.0]hept-1(6)-enyl)carbamate
CID 158695035
3-ethylidene-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 67499928
tert-butyl N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 129371230
tert-butyl N-(6-methylidenepiperidin-3-yl)carbamate
CID 134551040
tert-butyl N-(4-methylidenecycloheptyl)carbamate
CID 167064848
tert-butyl N-[(1R)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R)-3-oxocyclopentyl]carbamate
CID 159223543
tert-butyl N-[(3Z)-3-ethylidene-2-methylidenecyclohexyl]carbamate
CID 118155899
tert-butyl N-[(1R)-3-(difluoromethylidene)cyclohexyl]carbamate
CID 171829556
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[4-(tert-butylamino)cyclohexyl]carbamate
CID 69286066

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-ethylidenecyclopentyl)carbamate?
The IUPAC name of tert-butyl N-(3-ethylidenecyclopentyl)carbamate (CID 174757466) is tert-butyl N-(3-ethylidenecyclopentyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-ethylidenecyclopentyl)carbamate?
The canonical SMILES for tert-butyl N-(3-ethylidenecyclopentyl)carbamate is CC=C1CCC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-(3-ethylidenecyclopentyl)carbamate?
The InChIKey is GDYLUDZCPMSYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-5-9-6-7-10(8-9)13-11(14)15-12(2,3)4/h5,10H,6-8H2,1-4H3,(H,13,14).
What are the key properties of tert-butyl N-(3-ethylidenecyclopentyl)carbamate?
tert-butyl N-(3-ethylidenecyclopentyl)carbamate has a molecular weight of 211.30 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-ethylidenecyclopentyl)carbamate is sourced from PubChem (CID 174757466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).