tert-butyl N-[(Z)-4-methylidenehept-5-en-3-yl]carbamate

C13H23NO2 — CID 121338581

IUPACtert-butyl N-[(Z)-4-methylidenehept-5-en-3-yl]carbamate
SMILESC=C(/C=C\C)C(CC)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO2/c1-7-9-10(3)11(8-2)14-12(15)16-13(4,5)6/h7,9,11H,3,8H2,1-2,4-6H3,(H,14,15)/b9-7-
InChIKeyRJTSJLWXUWIBIT-CLFYSBASSA-N
MW225.33 g/mol
LogP3.42
Rot. Bonds4

About tert-butyl N-[(Z)-4-methylidenehept-5-en-3-yl]carbamate

tert-butyl N-[(Z)-4-methylidenehept-5-en-3-yl]carbamate (PubChem CID 121338581) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is tert-butyl N-[(Z)-4-methylidenehept-5-en-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-4-methylidenehept-5-en-3-yl]carbamate
PubChem CID121338581
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Nametert-butyl N-[(Z)-4-methylidenehept-5-en-3-yl]carbamate
SMILESC=C(/C=C\C)C(CC)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO2/c1-7-9-10(3)11(8-2)14-12(15)16-13(4,5)6/h7,9,11H,3,8H2,1-2,4-6H3,(H,14,15)/b9-7-
InChIKeyRJTSJLWXUWIBIT-CLFYSBASSA-N
XLogP3.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-4-methylidenehept-5-en-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(Z)-4-methylidenehept-5-en-3-yl]carbamate (CID 121338581) is tert-butyl N-[(Z)-4-methylidenehept-5-en-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-4-methylidenehept-5-en-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-4-methylidenehept-5-en-3-yl]carbamate is C=C(/C=C\C)C(CC)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(Z)-4-methylidenehept-5-en-3-yl]carbamate?
The InChIKey is RJTSJLWXUWIBIT-CLFYSBASSA-N. The full InChI is InChI=1S/C13H23NO2/c1-7-9-10(3)11(8-2)14-12(15)16-13(4,5)6/h7,9,11H,3,8H2,1-2,4-6H3,(H,14,15)/b9-7-.
What are the key properties of tert-butyl N-[(Z)-4-methylidenehept-5-en-3-yl]carbamate?
tert-butyl N-[(Z)-4-methylidenehept-5-en-3-yl]carbamate has a molecular weight of 225.33 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-4-methylidenehept-5-en-3-yl]carbamate is sourced from PubChem (CID 121338581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).