butyl carbamate;prop-2-enamide

C8H16N2O3 — CID 174431220

IUPACbutyl carbamate;prop-2-enamide
SMILESC=CC(N)=O.CCCCOC(N)=O
InChIInChI=1S/C5H11NO2.C3H5NO/c1-2-3-4-8-5(6)7;1-2-3(4)5/h2-4H2,1H3,(H2,6,7);2H,1H2,(H2,4,5)
InChIKeyNWYBHVZBERQWRR-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.54
Rot. Bonds4

About butyl carbamate;prop-2-enamide

butyl carbamate;prop-2-enamide (PubChem CID 174431220) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is butyl carbamate;prop-2-enamide.

Molecular Properties

Compound Namebutyl carbamate;prop-2-enamide
PubChem CID174431220
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Namebutyl carbamate;prop-2-enamide
SMILESC=CC(N)=O.CCCCOC(N)=O
InChIInChI=1S/C5H11NO2.C3H5NO/c1-2-3-4-8-5(6)7;1-2-3(4)5/h2-4H2,1H3,(H2,6,7);2H,1H2,(H2,4,5)
InChIKeyNWYBHVZBERQWRR-UHFFFAOYSA-N
XLogP0.54
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

butyl carbamate;hydrochloride
CID 88609650
butyl carbamate;phosphane
CID 174948771
butyl carbamate;hydroiodide
CID 161347358
pentane;prop-2-enamide
CID 139391622
pentyl prop-2-enoate;prop-2-enamide
CID 175210545
ethane;pentyl carbamate
CID 142339635
octacosyl carbamate
CID 160925840
3-carbamoyloxypropyl prop-2-enoate
CID 58831010
butyl prop-2-enoate;dimethyl-bis(prop-2-enyl)azanium;prop-2-enamide;chloride
CID 174722588
butyl prop-2-enoate;bis(ethyl prop-2-enoate)
CID 174617066
buta-1,3-diene;butyl hydrogen carbonate
CID 87173183
decan-1-amine;prop-2-enamide
CID 162009588

Frequently Asked Questions

What is the IUPAC name of butyl carbamate;prop-2-enamide?
The IUPAC name of butyl carbamate;prop-2-enamide (CID 174431220) is butyl carbamate;prop-2-enamide.
What is the SMILES notation for butyl carbamate;prop-2-enamide?
The canonical SMILES for butyl carbamate;prop-2-enamide is C=CC(N)=O.CCCCOC(N)=O.
What is the InChIKey of butyl carbamate;prop-2-enamide?
The InChIKey is NWYBHVZBERQWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.C3H5NO/c1-2-3-4-8-5(6)7;1-2-3(4)5/h2-4H2,1H3,(H2,6,7);2H,1H2,(H2,4,5).
What are the key properties of butyl carbamate;prop-2-enamide?
butyl carbamate;prop-2-enamide has a molecular weight of 188.23 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl carbamate;prop-2-enamide is sourced from PubChem (CID 174431220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).