tert-butyl N-[(1E)-penta-1,3-dienyl]carbamate

C10H17NO2 — CID 149434182

IUPACtert-butyl N-[(1E)-penta-1,3-dienyl]carbamate
SMILESCC=C/C=C/NC(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO2/c1-5-6-7-8-11-9(12)13-10(2,3)4/h5-8H,1-4H3,(H,11,12)/b6-5?,8-7+
InChIKeyXUKALTRSOXMVKA-GCSGCOTJSA-N
MW183.25 g/mol
LogP2.60
Rot. Bonds2

About tert-butyl N-[(1E)-penta-1,3-dienyl]carbamate

tert-butyl N-[(1E)-penta-1,3-dienyl]carbamate (PubChem CID 149434182) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is tert-butyl N-[(1E)-penta-1,3-dienyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1E)-penta-1,3-dienyl]carbamate
PubChem CID149434182
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nametert-butyl N-[(1E)-penta-1,3-dienyl]carbamate
SMILESCC=C/C=C/NC(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO2/c1-5-6-7-8-11-9(12)13-10(2,3)4/h5-8H,1-4H3,(H,11,12)/b6-5?,8-7+
InChIKeyXUKALTRSOXMVKA-GCSGCOTJSA-N
XLogP2.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(1E)-penta-1,3-dienyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (Z)-3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate
CID 164678963
tert-butyl N-[(1E,3E)-deca-1,3-dienyl]carbamate
CID 132585355
penta-1,3-dienylcarbamic acid
CID 152746421
CID 58186857
CID 58186857
tert-butyl N-[2-[[(E)-prop-1-enyl]carbamoylamino]ethyl]carbamate
CID 108909751
tert-butyl (2E,4E)-octa-2,4,6-trienoate
CID 131887303
tert-butyl N-[2-(2-hydroxyphenyl)ethenyl]carbamate
CID 175281086
tert-butyl N-[(E,3S)-hex-4-en-3-yl]carbamate
CID 102602622
tert-butyl N-[(Z,3R)-hex-4-en-3-yl]carbamate
CID 45091925
tert-butyl N-[(Z)-3-phenylprop-1-enyl]carbamate
CID 11983772
methyl N-[(1E,3E)-hexa-1,3,5-trienyl]carbamate
CID 5368703
tert-butyl N-[(E)-1-(hydroxyamino)-1-oxopent-3-en-2-yl]carbamate
CID 163956340

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1E)-penta-1,3-dienyl]carbamate?
The IUPAC name of tert-butyl N-[(1E)-penta-1,3-dienyl]carbamate (CID 149434182) is tert-butyl N-[(1E)-penta-1,3-dienyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1E)-penta-1,3-dienyl]carbamate?
The canonical SMILES for tert-butyl N-[(1E)-penta-1,3-dienyl]carbamate is CC=C/C=C/NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(1E)-penta-1,3-dienyl]carbamate?
The InChIKey is XUKALTRSOXMVKA-GCSGCOTJSA-N. The full InChI is InChI=1S/C10H17NO2/c1-5-6-7-8-11-9(12)13-10(2,3)4/h5-8H,1-4H3,(H,11,12)/b6-5?,8-7+.
What are the key properties of tert-butyl N-[(1E)-penta-1,3-dienyl]carbamate?
tert-butyl N-[(1E)-penta-1,3-dienyl]carbamate has a molecular weight of 183.25 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1E)-penta-1,3-dienyl]carbamate is sourced from PubChem (CID 149434182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).