tert-butyl N-[(Z)-6-methylhept-2-en-4-ylidene]carbamate

C13H23NO2 — CID 91281029

IUPACtert-butyl N-[(Z)-6-methylhept-2-en-4-ylidene]carbamate
SMILESC/C=C\C(CC(C)C)=NC(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO2/c1-7-8-11(9-10(2)3)14-12(15)16-13(4,5)6/h7-8,10H,9H2,1-6H3/b8-7-,14-11?
InChIKeyMKRAUFVFYVUAKS-CEYALLMWSA-N
MW225.33 g/mol
LogP3.98
Rot. Bonds3

About tert-butyl N-[(Z)-6-methylhept-2-en-4-ylidene]carbamate

tert-butyl N-[(Z)-6-methylhept-2-en-4-ylidene]carbamate (PubChem CID 91281029) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is tert-butyl N-[(Z)-6-methylhept-2-en-4-ylidene]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-6-methylhept-2-en-4-ylidene]carbamate
PubChem CID91281029
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Nametert-butyl N-[(Z)-6-methylhept-2-en-4-ylidene]carbamate
SMILESC/C=C\C(CC(C)C)=NC(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO2/c1-7-8-11(9-10(2)3)14-12(15)16-13(4,5)6/h7-8,10H,9H2,1-6H3/b8-7-,14-11?
InChIKeyMKRAUFVFYVUAKS-CEYALLMWSA-N
XLogP3.98
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(Z)-pent-3-en-2-ylidene]carbamate
CID 90989590
6-methylhept-2-en-4-one
CID 54395514
tert-butyl N-pentan-3-ylidenecarbamate
CID 123157234
tert-butyl N-(1-aminopropan-2-ylidene)carbamate
CID 154034661
(3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylimino]butanoic acid
CID 148844904
tert-butyl N-(5-methylhexylidene)carbamate
CID 57324162
tert-butyl (E)-5-methylhex-2-enoate
CID 11446750
(2R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylimino]butanoic acid
CID 174692646
tert-butyl N-[(2S)-butan-2-yl]-N-[(E)-N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
CID 10947006
(Z)-5,5,6-trimethylhept-2-en-4-one
CID 138709409
tert-butyl (3R)-3-aminohex-4-enoate
CID 2733827
tert-butyl (NZ)-N-(aminomethylidene)carbamate
CID 82467777

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-6-methylhept-2-en-4-ylidene]carbamate?
The IUPAC name of tert-butyl N-[(Z)-6-methylhept-2-en-4-ylidene]carbamate (CID 91281029) is tert-butyl N-[(Z)-6-methylhept-2-en-4-ylidene]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-6-methylhept-2-en-4-ylidene]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-6-methylhept-2-en-4-ylidene]carbamate is C/C=C\C(CC(C)C)=NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(Z)-6-methylhept-2-en-4-ylidene]carbamate?
The InChIKey is MKRAUFVFYVUAKS-CEYALLMWSA-N. The full InChI is InChI=1S/C13H23NO2/c1-7-8-11(9-10(2)3)14-12(15)16-13(4,5)6/h7-8,10H,9H2,1-6H3/b8-7-,14-11?.
What are the key properties of tert-butyl N-[(Z)-6-methylhept-2-en-4-ylidene]carbamate?
tert-butyl N-[(Z)-6-methylhept-2-en-4-ylidene]carbamate has a molecular weight of 225.33 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-6-methylhept-2-en-4-ylidene]carbamate is sourced from PubChem (CID 91281029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).