pentyl N-[(E,4E)-4-(methylhydrazinylidene)but-1-enyl]carbamate

C11H21N3O2 — CID 143646639

IUPACpentyl N-[(E,4E)-4-(methylhydrazinylidene)but-1-enyl]carbamate
SMILESCCCCCOC(=O)N/C=C/C/C=N/NC
InChIInChI=1S/C11H21N3O2/c1-3-4-7-10-16-11(15)13-8-5-6-9-14-12-2/h5,8-9,12H,3-4,6-7,10H2,1-2H3,(H,13,15)/b8-5+,14-9+
InChIKeyVQUXFTKWURECPH-KBEUXKDCSA-N
MW227.31 g/mol
LogP2.01
Rot. Bonds8

About pentyl N-[(E,4E)-4-(methylhydrazinylidene)but-1-enyl]carbamate

pentyl N-[(E,4E)-4-(methylhydrazinylidene)but-1-enyl]carbamate (PubChem CID 143646639) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is pentyl N-[(E,4E)-4-(methylhydrazinylidene)but-1-enyl]carbamate.

Molecular Properties

Compound Namepentyl N-[(E,4E)-4-(methylhydrazinylidene)but-1-enyl]carbamate
PubChem CID143646639
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Namepentyl N-[(E,4E)-4-(methylhydrazinylidene)but-1-enyl]carbamate
SMILESCCCCCOC(=O)N/C=C/C/C=N/NC
InChIInChI=1S/C11H21N3O2/c1-3-4-7-10-16-11(15)13-8-5-6-9-14-12-2/h5,8-9,12H,3-4,6-7,10H2,1-2H3,(H,13,15)/b8-5+,14-9+
InChIKeyVQUXFTKWURECPH-KBEUXKDCSA-N
XLogP2.01
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

dodecyl N-[(E)-2-(dodecoxycarbonylamino)ethenyl]carbamate
CID 3033556
hexyl N-formylcarbamate
CID 175274354
pentyl N-(pentoxycarbonylamino)carbamate
CID 71445161
butyl N-[(1E)-buta-1,3-dienyl]carbamate
CID 89306450
octadec-9-enyl N-methylcarbamate
CID 123820501
dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate
CID 102360236
henicosyl N-aminocarbamate
CID 174861039
octyl N-aminocarbamate
CID 129323256
methyl N-hexoxycarbonylcarbamate
CID 153299552
undecyl N-octylcarbamate
CID 168918698
hexyl N-tetradecylcarbamate
CID 91739120
dodecoxycarbonylcarbamic acid
CID 19778443

Frequently Asked Questions

What is the IUPAC name of pentyl N-[(E,4E)-4-(methylhydrazinylidene)but-1-enyl]carbamate?
The IUPAC name of pentyl N-[(E,4E)-4-(methylhydrazinylidene)but-1-enyl]carbamate (CID 143646639) is pentyl N-[(E,4E)-4-(methylhydrazinylidene)but-1-enyl]carbamate.
What is the SMILES notation for pentyl N-[(E,4E)-4-(methylhydrazinylidene)but-1-enyl]carbamate?
The canonical SMILES for pentyl N-[(E,4E)-4-(methylhydrazinylidene)but-1-enyl]carbamate is CCCCCOC(=O)N/C=C/C/C=N/NC.
What is the InChIKey of pentyl N-[(E,4E)-4-(methylhydrazinylidene)but-1-enyl]carbamate?
The InChIKey is VQUXFTKWURECPH-KBEUXKDCSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-3-4-7-10-16-11(15)13-8-5-6-9-14-12-2/h5,8-9,12H,3-4,6-7,10H2,1-2H3,(H,13,15)/b8-5+,14-9+.
What are the key properties of pentyl N-[(E,4E)-4-(methylhydrazinylidene)but-1-enyl]carbamate?
pentyl N-[(E,4E)-4-(methylhydrazinylidene)but-1-enyl]carbamate has a molecular weight of 227.31 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl N-[(E,4E)-4-(methylhydrazinylidene)but-1-enyl]carbamate is sourced from PubChem (CID 143646639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).