carbamoyloxy-propan-2-ylidene-(prop-2-enoyloxymethyl)azanium

C8H13N2O4+ — CID 87661869

IUPACcarbamoyloxy-propan-2-ylidene-(prop-2-enoyloxymethyl)azanium
SMILESC=CC(=O)OC[N+](OC(N)=O)=C(C)C
InChIInChI=1S/C8H12N2O4/c1-4-7(11)13-5-10(6(2)3)14-8(9)12/h4H,1,5H2,2-3H3,(H-,9,12)/p+1
InChIKeyGULZOUWHGMVRIC-UHFFFAOYSA-O
MW201.20 g/mol
LogP0.18
Rot. Bonds4

About carbamoyloxy-propan-2-ylidene-(prop-2-enoyloxymethyl)azanium

carbamoyloxy-propan-2-ylidene-(prop-2-enoyloxymethyl)azanium (PubChem CID 87661869) has the molecular formula C8H13N2O4+ and a molecular weight of 201.20 g/mol. Its IUPAC name is carbamoyloxy-propan-2-ylidene-(prop-2-enoyloxymethyl)azanium.

Molecular Properties

Compound Namecarbamoyloxy-propan-2-ylidene-(prop-2-enoyloxymethyl)azanium
PubChem CID87661869
Molecular FormulaC8H13N2O4+
Molecular Weight201.20 g/mol
Exact Mass201.09
IUPAC Namecarbamoyloxy-propan-2-ylidene-(prop-2-enoyloxymethyl)azanium
SMILESC=CC(=O)OC[N+](OC(N)=O)=C(C)C
InChIInChI=1S/C8H12N2O4/c1-4-7(11)13-5-10(6(2)3)14-8(9)12/h4H,1,5H2,2-3H3,(H-,9,12)/p+1
InChIKeyGULZOUWHGMVRIC-UHFFFAOYSA-O
XLogP0.18
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethene;ethyl prop-2-enoate;urea
CID 22098038
(2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate
CID 16680
ethenamine;ethyl prop-2-enoate
CID 22022699
ethyl prop-2-enoate;sulfane
CID 157093783
ethyl prop-2-enoate;hydroiodide
CID 159738872
ethyl prop-2-enoate;hydrochloride
CID 87359594
(2-hydroxy-2-methyl-3-oxopent-4-enyl) prop-2-enoate
CID 174578379
3-carbamoyloxypropyl prop-2-enoate
CID 58831010
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
pentyl prop-2-enoate;prop-2-enamide
CID 175210545
boranuide;[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 161197836
carbamic acid;propyl prop-2-enoate
CID 87571569

Frequently Asked Questions

What is the IUPAC name of carbamoyloxy-propan-2-ylidene-(prop-2-enoyloxymethyl)azanium?
The IUPAC name of carbamoyloxy-propan-2-ylidene-(prop-2-enoyloxymethyl)azanium (CID 87661869) is carbamoyloxy-propan-2-ylidene-(prop-2-enoyloxymethyl)azanium.
What is the SMILES notation for carbamoyloxy-propan-2-ylidene-(prop-2-enoyloxymethyl)azanium?
The canonical SMILES for carbamoyloxy-propan-2-ylidene-(prop-2-enoyloxymethyl)azanium is C=CC(=O)OC[N+](OC(N)=O)=C(C)C.
What is the InChIKey of carbamoyloxy-propan-2-ylidene-(prop-2-enoyloxymethyl)azanium?
The InChIKey is GULZOUWHGMVRIC-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H12N2O4/c1-4-7(11)13-5-10(6(2)3)14-8(9)12/h4H,1,5H2,2-3H3,(H-,9,12)/p+1.
What are the key properties of carbamoyloxy-propan-2-ylidene-(prop-2-enoyloxymethyl)azanium?
carbamoyloxy-propan-2-ylidene-(prop-2-enoyloxymethyl)azanium has a molecular weight of 201.20 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyloxy-propan-2-ylidene-(prop-2-enoyloxymethyl)azanium is sourced from PubChem (CID 87661869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).