N-carbamoyl-N-prop-2-enylformamide

C5H8N2O2 — CID 87815239

IUPACN-carbamoyl-N-prop-2-enylformamide
SMILESC=CCN(C=O)C(N)=O
InChIInChI=1S/C5H8N2O2/c1-2-3-7(4-8)5(6)9/h2,4H,1,3H2,(H2,6,9)
InChIKeyVSWLHVSWUALBGX-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.29
Rot. Bonds3

About N-carbamoyl-N-prop-2-enylformamide

N-carbamoyl-N-prop-2-enylformamide (PubChem CID 87815239) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is N-carbamoyl-N-prop-2-enylformamide.

Molecular Properties

Compound NameN-carbamoyl-N-prop-2-enylformamide
PubChem CID87815239
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC NameN-carbamoyl-N-prop-2-enylformamide
SMILESC=CCN(C=O)C(N)=O
InChIInChI=1S/C5H8N2O2/c1-2-3-7(4-8)5(6)9/h2,4H,1,3H2,(H2,6,9)
InChIKeyVSWLHVSWUALBGX-UHFFFAOYSA-N
XLogP-0.29
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-carbamoyl-N-(2-oxopropyl)formamide
CID 22614022
N-amino-N-prop-2-enylformamide
CID 87139265
bis(prop-2-enyl)carbamothioic S-acid;carbamothioic S-acid
CID 87059651
1-ethenyl-1-(2-hydroxyethyl)urea
CID 57006920
2-[methyl(prop-2-enyl)amino]acetamide
CID 55207696
3-[bis(prop-2-enyl)amino]prop-2-enamide
CID 87667924
N,N-bis(prop-2-enyl)prop-2-en-1-amine;carbonic acid
CID 173029925
1-ethenyl-1,3-bis(prop-2-enyl)urea
CID 174961911
2-[bis(prop-2-enyl)amino]propanamide
CID 82040435
carbamic acid;prop-2-enoic acid;hydrate
CID 174529556
N-ethenyl-N-prop-2-enylformamide
CID 57465791
carbonic acid;N,N-dihydroxyprop-2-en-1-amine
CID 129188900

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-N-prop-2-enylformamide?
The IUPAC name of N-carbamoyl-N-prop-2-enylformamide (CID 87815239) is N-carbamoyl-N-prop-2-enylformamide.
What is the SMILES notation for N-carbamoyl-N-prop-2-enylformamide?
The canonical SMILES for N-carbamoyl-N-prop-2-enylformamide is C=CCN(C=O)C(N)=O.
What is the InChIKey of N-carbamoyl-N-prop-2-enylformamide?
The InChIKey is VSWLHVSWUALBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2/c1-2-3-7(4-8)5(6)9/h2,4H,1,3H2,(H2,6,9).
What are the key properties of N-carbamoyl-N-prop-2-enylformamide?
N-carbamoyl-N-prop-2-enylformamide has a molecular weight of 128.13 g/mol, XLogP of -0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-N-prop-2-enylformamide is sourced from PubChem (CID 87815239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).