nitro 2-methoxyprop-2-enoate

C4H5NO5 — CID 174788095

IUPACnitro 2-methoxyprop-2-enoate
SMILESC=C(OC)C(=O)O[N+](=O)[O-]
InChIInChI=1S/C4H5NO5/c1-3(9-2)4(6)10-5(7)8/h1H2,2H3
InChIKeyFHZYSEOLHXVCQX-UHFFFAOYSA-N
MW147.09 g/mol
LogP-0.12
Rot. Bonds3

About nitro 2-methoxyprop-2-enoate

nitro 2-methoxyprop-2-enoate (PubChem CID 174788095) has the molecular formula C4H5NO5 and a molecular weight of 147.09 g/mol. Its IUPAC name is nitro 2-methoxyprop-2-enoate.

Molecular Properties

Compound Namenitro 2-methoxyprop-2-enoate
PubChem CID174788095
Molecular FormulaC4H5NO5
Molecular Weight147.09 g/mol
Exact Mass147.02
IUPAC Namenitro 2-methoxyprop-2-enoate
SMILESC=C(OC)C(=O)O[N+](=O)[O-]
InChIInChI=1S/C4H5NO5/c1-3(9-2)4(6)10-5(7)8/h1H2,2H3
InChIKeyFHZYSEOLHXVCQX-UHFFFAOYSA-N
XLogP-0.12
TPSA78.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.09
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methoxyprop-2-enoic acid;nitric acid
CID 174788096
methyl 3-methoxy-2-methylidenebut-3-enoate
CID 123350799
3-methoxy-3-oxo(313C)prop-1-en-2-olate
CID 102061344
methyl nitrate
CID 11724
methyl (Z)-2-nitrobut-2-enoate
CID 12572507
calcium methyl nitrate
CID 87508998
hydron;methyl 2-methylidenebutanoate
CID 174760127
nitro prop-2-enoate
CID 22400648
nitro carbonofluoridate
CID 149152003
methyl 2-hydroxy(113C)prop-2-enoate
CID 102061345
(E)-4-methoxy-3-nitro-4-oxobut-2-en-2-olate
CID 54676506
2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methoxyprop-2-enoate
CID 175188156

Frequently Asked Questions

What is the IUPAC name of nitro 2-methoxyprop-2-enoate?
The IUPAC name of nitro 2-methoxyprop-2-enoate (CID 174788095) is nitro 2-methoxyprop-2-enoate.
What is the SMILES notation for nitro 2-methoxyprop-2-enoate?
The canonical SMILES for nitro 2-methoxyprop-2-enoate is C=C(OC)C(=O)O[N+](=O)[O-].
What is the InChIKey of nitro 2-methoxyprop-2-enoate?
The InChIKey is FHZYSEOLHXVCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO5/c1-3(9-2)4(6)10-5(7)8/h1H2,2H3.
What are the key properties of nitro 2-methoxyprop-2-enoate?
nitro 2-methoxyprop-2-enoate has a molecular weight of 147.09 g/mol, XLogP of -0.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for nitro 2-methoxyprop-2-enoate is sourced from PubChem (CID 174788095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).