tert-butyl N-(1-cyclopenta-2,4-dien-1-yl-2-methylpropyl)carbamate

C14H23NO2 — CID 101340435

IUPACtert-butyl N-(1-cyclopenta-2,4-dien-1-yl-2-methylpropyl)carbamate
SMILESCC(C)C(NC(=O)OC(C)(C)C)C1C=CC=C1
InChIInChI=1S/C14H23NO2/c1-10(2)12(11-8-6-7-9-11)15-13(16)17-14(3,4)5/h6-12H,1-5H3,(H,15,16)
InChIKeyBSYKFFDFJCWEJS-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.28
Rot. Bonds3

About tert-butyl N-(1-cyclopenta-2,4-dien-1-yl-2-methylpropyl)carbamate

tert-butyl N-(1-cyclopenta-2,4-dien-1-yl-2-methylpropyl)carbamate (PubChem CID 101340435) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is tert-butyl N-(1-cyclopenta-2,4-dien-1-yl-2-methylpropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-cyclopenta-2,4-dien-1-yl-2-methylpropyl)carbamate
PubChem CID101340435
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Nametert-butyl N-(1-cyclopenta-2,4-dien-1-yl-2-methylpropyl)carbamate
SMILESCC(C)C(NC(=O)OC(C)(C)C)C1C=CC=C1
InChIInChI=1S/C14H23NO2/c1-10(2)12(11-8-6-7-9-11)15-13(16)17-14(3,4)5/h6-12H,1-5H3,(H,15,16)
InChIKeyBSYKFFDFJCWEJS-UHFFFAOYSA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[(2R)-3-methylbutan-2-yl]carbamate
CID 11014358
tert-butyl N-(1-hydroxy-2-methylpropyl)carbamate
CID 23292073
tert-butyl N-[(2R,3S)-3,4-dimethylpentan-2-yl]carbamate
CID 174039144
1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylphosphonous acid
CID 19880117
tert-butyl N-[(1S)-2-methyl-1-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]propyl]carbamate
CID 12042857
2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino]propanoic acid
CID 168742763
tert-butyl N-[(2S)-3-methyl-1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]selanylbutan-2-yl]carbamate
CID 102155878
tert-butyl N-(3-methyl-1-oxobutan-2-yl)carbamate
CID 545985
tert-butyl N-[(3R)-2-amino-4-methylpentan-3-yl]carbamate
CID 83350039
tert-butyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate
CID 11367915
tert-butyl N-(4,4-dimethyl-3-oxopentan-2-yl)carbamate
CID 72641150
tert-butyl N-[(2S)-1-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-1-oxopropan-2-yl]carbamate
CID 101469112

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-cyclopenta-2,4-dien-1-yl-2-methylpropyl)carbamate?
The IUPAC name of tert-butyl N-(1-cyclopenta-2,4-dien-1-yl-2-methylpropyl)carbamate (CID 101340435) is tert-butyl N-(1-cyclopenta-2,4-dien-1-yl-2-methylpropyl)carbamate.
What is the SMILES notation for tert-butyl N-(1-cyclopenta-2,4-dien-1-yl-2-methylpropyl)carbamate?
The canonical SMILES for tert-butyl N-(1-cyclopenta-2,4-dien-1-yl-2-methylpropyl)carbamate is CC(C)C(NC(=O)OC(C)(C)C)C1C=CC=C1.
What is the InChIKey of tert-butyl N-(1-cyclopenta-2,4-dien-1-yl-2-methylpropyl)carbamate?
The InChIKey is BSYKFFDFJCWEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10(2)12(11-8-6-7-9-11)15-13(16)17-14(3,4)5/h6-12H,1-5H3,(H,15,16).
What are the key properties of tert-butyl N-(1-cyclopenta-2,4-dien-1-yl-2-methylpropyl)carbamate?
tert-butyl N-(1-cyclopenta-2,4-dien-1-yl-2-methylpropyl)carbamate has a molecular weight of 237.34 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-cyclopenta-2,4-dien-1-yl-2-methylpropyl)carbamate is sourced from PubChem (CID 101340435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).