tert-butyl N-[(4Z)-4-ethenylhepta-4,6-dien-2-yl]carbamate;formic acid

C15H25NO4 — CID 156652796

IUPACtert-butyl N-[(4Z)-4-ethenylhepta-4,6-dien-2-yl]carbamate;formic acid
SMILESC=C/C=C(\C=C)CC(C)NC(=O)OC(C)(C)C.O=CO
InChIInChI=1S/C14H23NO2.CH2O2/c1-7-9-12(8-2)10-11(3)15-13(16)17-14(4,5)6;2-1-3/h7-9,11H,1-2,10H2,3-6H3,(H,15,16);1H,(H,2,3)/b12-9+;
InChIKeyDRFIUPVECDPGMN-NBYYMMLRSA-N
MW283.37 g/mol
LogP3.29
Rot. Bonds5

About tert-butyl N-[(4Z)-4-ethenylhepta-4,6-dien-2-yl]carbamate;formic acid

tert-butyl N-[(4Z)-4-ethenylhepta-4,6-dien-2-yl]carbamate;formic acid (PubChem CID 156652796) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is tert-butyl N-[(4Z)-4-ethenylhepta-4,6-dien-2-yl]carbamate;formic acid.

Molecular Properties

Compound Nametert-butyl N-[(4Z)-4-ethenylhepta-4,6-dien-2-yl]carbamate;formic acid
PubChem CID156652796
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Nametert-butyl N-[(4Z)-4-ethenylhepta-4,6-dien-2-yl]carbamate;formic acid
SMILESC=C/C=C(\C=C)CC(C)NC(=O)OC(C)(C)C.O=CO
InChIInChI=1S/C14H23NO2.CH2O2/c1-7-9-12(8-2)10-11(3)15-13(16)17-14(4,5)6;2-1-3/h7-9,11H,1-2,10H2,3-6H3,(H,15,16);1H,(H,2,3)/b12-9+;
InChIKeyDRFIUPVECDPGMN-NBYYMMLRSA-N
XLogP3.29
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 177159912
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CID 177284674
tert-butyl N-[(2S)-5-diazo-4-oxopentan-2-yl]carbamate
CID 101058178
propan-2-yl 3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 22406400
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid
CID 10443257
(3S)-3-[[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoic acid
CID 178200147
tert-butyl N-[(2R)-3-oxopent-4-en-2-yl]carbamate
CID 14541319
tert-butyl N-[4-(2-methylhydrazinyl)-4-oxobutan-2-yl]carbamate
CID 116849757
tert-butyl N-[(3R)-5-methylhex-1-en-3-yl]carbamate
CID 51357111
tert-butyl N-(5-oxopent-1-en-3-yl)carbamate
CID 87517564
tert-butyl 4-[[(2E)-2-ethenylpenta-2,4-dienoxy]carbonylamino]-2-methyl-4-sulfanylbutanoate
CID 164563423
tert-butyl N-(4-hydroxyhept-6-en-2-yl)carbamate
CID 541819

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4Z)-4-ethenylhepta-4,6-dien-2-yl]carbamate;formic acid?
The IUPAC name of tert-butyl N-[(4Z)-4-ethenylhepta-4,6-dien-2-yl]carbamate;formic acid (CID 156652796) is tert-butyl N-[(4Z)-4-ethenylhepta-4,6-dien-2-yl]carbamate;formic acid.
What is the SMILES notation for tert-butyl N-[(4Z)-4-ethenylhepta-4,6-dien-2-yl]carbamate;formic acid?
The canonical SMILES for tert-butyl N-[(4Z)-4-ethenylhepta-4,6-dien-2-yl]carbamate;formic acid is C=C/C=C(\C=C)CC(C)NC(=O)OC(C)(C)C.O=CO.
What is the InChIKey of tert-butyl N-[(4Z)-4-ethenylhepta-4,6-dien-2-yl]carbamate;formic acid?
The InChIKey is DRFIUPVECDPGMN-NBYYMMLRSA-N. The full InChI is InChI=1S/C14H23NO2.CH2O2/c1-7-9-12(8-2)10-11(3)15-13(16)17-14(4,5)6;2-1-3/h7-9,11H,1-2,10H2,3-6H3,(H,15,16);1H,(H,2,3)/b12-9+;.
What are the key properties of tert-butyl N-[(4Z)-4-ethenylhepta-4,6-dien-2-yl]carbamate;formic acid?
tert-butyl N-[(4Z)-4-ethenylhepta-4,6-dien-2-yl]carbamate;formic acid has a molecular weight of 283.37 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4Z)-4-ethenylhepta-4,6-dien-2-yl]carbamate;formic acid is sourced from PubChem (CID 156652796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).