tert-butyl N-but-3-enoyl-N-[(3S)-hexa-1,5-dien-3-yl]carbamate

C15H23NO3 — CID 135077755

IUPACtert-butyl N-but-3-enoyl-N-[(3S)-hexa-1,5-dien-3-yl]carbamate
SMILESC=CCC(=O)N(C(=O)OC(C)(C)C)[C@H](C=C)CC=C
InChIInChI=1S/C15H23NO3/c1-7-10-12(9-3)16(13(17)11-8-2)14(18)19-15(4,5)6/h7-9,12H,1-3,10-11H2,4-6H3/t12-/m1/s1
InChIKeyCXUYILVOMGBQFC-GFCCVEGCSA-N
MW265.35 g/mol
LogP3.46
Rot. Bonds6

About tert-butyl N-but-3-enoyl-N-[(3S)-hexa-1,5-dien-3-yl]carbamate

tert-butyl N-but-3-enoyl-N-[(3S)-hexa-1,5-dien-3-yl]carbamate (PubChem CID 135077755) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is tert-butyl N-but-3-enoyl-N-[(3S)-hexa-1,5-dien-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-but-3-enoyl-N-[(3S)-hexa-1,5-dien-3-yl]carbamate
PubChem CID135077755
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nametert-butyl N-but-3-enoyl-N-[(3S)-hexa-1,5-dien-3-yl]carbamate
SMILESC=CCC(=O)N(C(=O)OC(C)(C)C)[C@H](C=C)CC=C
InChIInChI=1S/C15H23NO3/c1-7-10-12(9-3)16(13(17)11-8-2)14(18)19-15(4,5)6/h7-9,12H,1-3,10-11H2,4-6H3/t12-/m1/s1
InChIKeyCXUYILVOMGBQFC-GFCCVEGCSA-N
XLogP3.46
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl N-but-3-enoyl-N-[(3S)-hexa-1,5-dien-3-yl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-but-3-enoyl-N-[(3S)-hexa-1,5-dien-3-yl]carbamate?
The IUPAC name of tert-butyl N-but-3-enoyl-N-[(3S)-hexa-1,5-dien-3-yl]carbamate (CID 135077755) is tert-butyl N-but-3-enoyl-N-[(3S)-hexa-1,5-dien-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-but-3-enoyl-N-[(3S)-hexa-1,5-dien-3-yl]carbamate?
The canonical SMILES for tert-butyl N-but-3-enoyl-N-[(3S)-hexa-1,5-dien-3-yl]carbamate is C=CCC(=O)N(C(=O)OC(C)(C)C)[C@H](C=C)CC=C.
What is the InChIKey of tert-butyl N-but-3-enoyl-N-[(3S)-hexa-1,5-dien-3-yl]carbamate?
The InChIKey is CXUYILVOMGBQFC-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23NO3/c1-7-10-12(9-3)16(13(17)11-8-2)14(18)19-15(4,5)6/h7-9,12H,1-3,10-11H2,4-6H3/t12-/m1/s1.
What are the key properties of tert-butyl N-but-3-enoyl-N-[(3S)-hexa-1,5-dien-3-yl]carbamate?
tert-butyl N-but-3-enoyl-N-[(3S)-hexa-1,5-dien-3-yl]carbamate has a molecular weight of 265.35 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-but-3-enoyl-N-[(3S)-hexa-1,5-dien-3-yl]carbamate is sourced from PubChem (CID 135077755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).