carbamic acid;prop-2-enyl carbamate

C5H10N2O4 — CID 87466810

IUPACcarbamic acid;prop-2-enyl carbamate
SMILESC=CCOC(N)=O.NC(=O)O
InChIInChI=1S/C4H7NO2.CH3NO2/c1-2-3-7-4(5)6;2-1(3)4/h2H,1,3H2,(H2,5,6);2H2,(H,3,4)
InChIKeyRNUKEOFECIQTAP-UHFFFAOYSA-N
MW162.15 g/mol
LogP-0.11
Rot. Bonds2

About carbamic acid;prop-2-enyl carbamate

carbamic acid;prop-2-enyl carbamate (PubChem CID 87466810) has the molecular formula C5H10N2O4 and a molecular weight of 162.15 g/mol. Its IUPAC name is carbamic acid;prop-2-enyl carbamate.

Molecular Properties

Compound Namecarbamic acid;prop-2-enyl carbamate
PubChem CID87466810
Molecular FormulaC5H10N2O4
Molecular Weight162.15 g/mol
Exact Mass162.06
IUPAC Namecarbamic acid;prop-2-enyl carbamate
SMILESC=CCOC(N)=O.NC(=O)O
InChIInChI=1S/C4H7NO2.CH3NO2/c1-2-3-7-4(5)6;2-1(3)4/h2H,1,3H2,(H2,5,6);2H2,(H,3,4)
InChIKeyRNUKEOFECIQTAP-UHFFFAOYSA-N
XLogP-0.11
TPSA115.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzene;prop-2-enyl carbamate
CID 174893735
bis(prop-2-enyl) carbonate;ethene
CID 87465968
bis(prop-2-enyl) (Z)-2-hydroxybut-2-enedioate
CID 134117431
2-sulfanylideneethyl carbamate
CID 19797136
bis(prop-2-enyl) (Z)-but-2-enedioate
CID 5354266
bis(prop-2-enyl) but-2-enedioate
CID 173228436
bis(prop-2-enyl) carbonate;isocyanic acid
CID 88769513
2-prop-2-enoxybut-2-enoic acid
CID 74409051
(Z)-2-prop-2-enoxybut-2-enoic acid
CID 25228924
methane;prop-2-enyl prop-2-enoate
CID 87568259
bis(prop-2-enyl) 2-hydroxypropanedioate
CID 14329928
bis(prop-2-enyl) 2-(aminooxymethyl)-2-methylpropanedioate
CID 121263061

Frequently Asked Questions

What is the IUPAC name of carbamic acid;prop-2-enyl carbamate?
The IUPAC name of carbamic acid;prop-2-enyl carbamate (CID 87466810) is carbamic acid;prop-2-enyl carbamate.
What is the SMILES notation for carbamic acid;prop-2-enyl carbamate?
The canonical SMILES for carbamic acid;prop-2-enyl carbamate is C=CCOC(N)=O.NC(=O)O.
What is the InChIKey of carbamic acid;prop-2-enyl carbamate?
The InChIKey is RNUKEOFECIQTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2.CH3NO2/c1-2-3-7-4(5)6;2-1(3)4/h2H,1,3H2,(H2,5,6);2H2,(H,3,4).
What are the key properties of carbamic acid;prop-2-enyl carbamate?
carbamic acid;prop-2-enyl carbamate has a molecular weight of 162.15 g/mol, XLogP of -0.11, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;prop-2-enyl carbamate is sourced from PubChem (CID 87466810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).