prop-1-en-2-yl N-[(2-methylpropan-2-yl)oxycarbonylimino]carbamate

C9H14N2O4 — CID 173489407

IUPACprop-1-en-2-yl N-[(2-methylpropan-2-yl)oxycarbonylimino]carbamate
SMILESC=C(C)OC(=O)N=NC(=O)OC(C)(C)C
InChIInChI=1S/C9H14N2O4/c1-6(2)14-7(12)10-11-8(13)15-9(3,4)5/h1H2,2-5H3
InChIKeyHJHMBSGRNSFANV-UHFFFAOYSA-N
MW214.22 g/mol
LogP3.04
Rot. Bonds1

About prop-1-en-2-yl N-[(2-methylpropan-2-yl)oxycarbonylimino]carbamate

prop-1-en-2-yl N-[(2-methylpropan-2-yl)oxycarbonylimino]carbamate (PubChem CID 173489407) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is prop-1-en-2-yl N-[(2-methylpropan-2-yl)oxycarbonylimino]carbamate.

Molecular Properties

Compound Nameprop-1-en-2-yl N-[(2-methylpropan-2-yl)oxycarbonylimino]carbamate
PubChem CID173489407
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Nameprop-1-en-2-yl N-[(2-methylpropan-2-yl)oxycarbonylimino]carbamate
SMILESC=C(C)OC(=O)N=NC(=O)OC(C)(C)C
InChIInChI=1S/C9H14N2O4/c1-6(2)14-7(12)10-11-8(13)15-9(3,4)5/h1H2,2-5H3
InChIKeyHJHMBSGRNSFANV-UHFFFAOYSA-N
XLogP3.04
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-(1-prop-1-en-2-yloxyethenoxy)propane
CID 122522282
tert-butyl N-pentan-3-ylidenecarbamate
CID 123157234
tert-butyl acetate
CID 159704758
propan-2-yl (E)-3-[(2-methylpropan-2-yl)oxycarbonyldiazenyl]but-2-enoate
CID 15419653
ethyl 3-[(2-methylpropan-2-yl)oxycarbonyldiazenyl]but-2-enoate
CID 73121178
ethyl (E)-3-[(2-methylpropan-2-yl)oxycarbonyldiazenyl]but-2-enoate
CID 11831594
tert-butyl N-(1-aminopropan-2-ylidene)carbamate
CID 154034661
phenyl (NE)-N-[(2-methylpropan-2-yl)oxycarbonylimino]carbamate
CID 15073140
tert-butyl acetate;iron
CID 174907269
prop-1-en-2-yl acetate;hydrate
CID 175309612
sodium tert-butyl acetate
CID 22391906
tert-butyl (NZ)-N-(aminomethylidene)carbamate
CID 82467777

Frequently Asked Questions

What is the IUPAC name of prop-1-en-2-yl N-[(2-methylpropan-2-yl)oxycarbonylimino]carbamate?
The IUPAC name of prop-1-en-2-yl N-[(2-methylpropan-2-yl)oxycarbonylimino]carbamate (CID 173489407) is prop-1-en-2-yl N-[(2-methylpropan-2-yl)oxycarbonylimino]carbamate.
What is the SMILES notation for prop-1-en-2-yl N-[(2-methylpropan-2-yl)oxycarbonylimino]carbamate?
The canonical SMILES for prop-1-en-2-yl N-[(2-methylpropan-2-yl)oxycarbonylimino]carbamate is C=C(C)OC(=O)N=NC(=O)OC(C)(C)C.
What is the InChIKey of prop-1-en-2-yl N-[(2-methylpropan-2-yl)oxycarbonylimino]carbamate?
The InChIKey is HJHMBSGRNSFANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-6(2)14-7(12)10-11-8(13)15-9(3,4)5/h1H2,2-5H3.
What are the key properties of prop-1-en-2-yl N-[(2-methylpropan-2-yl)oxycarbonylimino]carbamate?
prop-1-en-2-yl N-[(2-methylpropan-2-yl)oxycarbonylimino]carbamate has a molecular weight of 214.22 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-yl N-[(2-methylpropan-2-yl)oxycarbonylimino]carbamate is sourced from PubChem (CID 173489407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).