tert-butyl N-[(Z)-pent-3-en-2-ylidene]carbamate

C10H17NO2 — CID 90989590

IUPACtert-butyl N-[(Z)-pent-3-en-2-ylidene]carbamate
SMILESC/C=C\C(C)=NC(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO2/c1-6-7-8(2)11-9(12)13-10(3,4)5/h6-7H,1-5H3/b7-6-,11-8?
InChIKeyDKASPOZWEXBXKI-OOOKLALXSA-N
MW183.25 g/mol
LogP2.96
Rot. Bonds1

About tert-butyl N-[(Z)-pent-3-en-2-ylidene]carbamate

tert-butyl N-[(Z)-pent-3-en-2-ylidene]carbamate (PubChem CID 90989590) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is tert-butyl N-[(Z)-pent-3-en-2-ylidene]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-pent-3-en-2-ylidene]carbamate
PubChem CID90989590
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nametert-butyl N-[(Z)-pent-3-en-2-ylidene]carbamate
SMILESC/C=C\C(C)=NC(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO2/c1-6-7-8(2)11-9(12)13-10(3,4)5/h6-7H,1-5H3/b7-6-,11-8?
InChIKeyDKASPOZWEXBXKI-OOOKLALXSA-N
XLogP2.96
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.96
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)-6-methylhept-2-en-4-ylidene]carbamate
CID 91281029
tert-butyl N-(1-aminopropan-2-ylidene)carbamate
CID 154034661
tert-butyl acetate
CID 159704758
tert-butyl N-pentan-3-ylidenecarbamate
CID 123157234
sodium tert-butyl acetate
CID 22391906
tert-butyl acetate;iron
CID 174907269
tert-butyl (NZ)-N-(aminomethylidene)carbamate
CID 82467777
(Z)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]pent-3-en-2-imine
CID 126661402
[C-methyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbonimidoyl] cyclopropanecarboxylate
CID 91395086
tert-butyl (NE)-N-[dimethylamino-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate
CID 11087426
(3Z)-2-[(2-methylpropan-2-yl)oxy]penta-1,3-diene
CID 142052910
(3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylimino]butanoic acid
CID 148844904

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-pent-3-en-2-ylidene]carbamate?
The IUPAC name of tert-butyl N-[(Z)-pent-3-en-2-ylidene]carbamate (CID 90989590) is tert-butyl N-[(Z)-pent-3-en-2-ylidene]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-pent-3-en-2-ylidene]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-pent-3-en-2-ylidene]carbamate is C/C=C\C(C)=NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(Z)-pent-3-en-2-ylidene]carbamate?
The InChIKey is DKASPOZWEXBXKI-OOOKLALXSA-N. The full InChI is InChI=1S/C10H17NO2/c1-6-7-8(2)11-9(12)13-10(3,4)5/h6-7H,1-5H3/b7-6-,11-8?.
What are the key properties of tert-butyl N-[(Z)-pent-3-en-2-ylidene]carbamate?
tert-butyl N-[(Z)-pent-3-en-2-ylidene]carbamate has a molecular weight of 183.25 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-pent-3-en-2-ylidene]carbamate is sourced from PubChem (CID 90989590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).