N-but-3-enyl-2-methylprop-2-enamide;urea

C9H17N3O2 — CID 87079419

IUPACN-but-3-enyl-2-methylprop-2-enamide;urea
SMILESC=CCCNC(=O)C(=C)C.NC(N)=O
InChIInChI=1S/C8H13NO.CH4N2O/c1-4-5-6-9-8(10)7(2)3;2-1(3)4/h4H,1-2,5-6H2,3H3,(H,9,10);(H4,2,3,4)
InChIKeyQSVXXWUAIOHMFG-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.28
Rot. Bonds4

About N-but-3-enyl-2-methylprop-2-enamide;urea

N-but-3-enyl-2-methylprop-2-enamide;urea (PubChem CID 87079419) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is N-but-3-enyl-2-methylprop-2-enamide;urea.

Molecular Properties

Compound NameN-but-3-enyl-2-methylprop-2-enamide;urea
PubChem CID87079419
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC NameN-but-3-enyl-2-methylprop-2-enamide;urea
SMILESC=CCCNC(=O)C(=C)C.NC(N)=O
InChIInChI=1S/C8H13NO.CH4N2O/c1-4-5-6-9-8(10)7(2)3;2-1(3)4/h4H,1-2,5-6H2,3H3,(H,9,10);(H4,2,3,4)
InChIKeyQSVXXWUAIOHMFG-UHFFFAOYSA-N
XLogP0.28
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Allylmethacrylamide
CID 75139
Prop-2-enamide;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;chloride
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N,N'-1,2-Ethanediylbis[2-methyl-2-propenamide]
CID 10313529
Methacrylamidoethyl ethylene
CID 17774237
2-methyl-N-propan-2-ylprop-2-enamide;N-propan-2-ylprop-2-enamide
CID 87926298
Tigloylputrescine
CID 129856314
N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;prop-2-enamide
CID 159721978
N,N'-1,4-butanediylbis(2-methyl-2-propenamide)
CID 11680199
N-(3-acetamidopropyl)-2-methylprop-2-enamide
CID 45120253
(2Z)-N-butyl-2-methylhexa-2,5-dienamide
CID 176433790
prop-2-enamide;N-propylprop-2-enamide
CID 10058214
2-Propenamide, N,N'-1,3-propanediylbis[2-methyl-
CID 11687130

Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-2-methylprop-2-enamide;urea?
The IUPAC name of N-but-3-enyl-2-methylprop-2-enamide;urea (CID 87079419) is N-but-3-enyl-2-methylprop-2-enamide;urea.
What is the SMILES notation for N-but-3-enyl-2-methylprop-2-enamide;urea?
The canonical SMILES for N-but-3-enyl-2-methylprop-2-enamide;urea is C=CCCNC(=O)C(=C)C.NC(N)=O.
What is the InChIKey of N-but-3-enyl-2-methylprop-2-enamide;urea?
The InChIKey is QSVXXWUAIOHMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO.CH4N2O/c1-4-5-6-9-8(10)7(2)3;2-1(3)4/h4H,1-2,5-6H2,3H3,(H,9,10);(H4,2,3,4).
What are the key properties of N-but-3-enyl-2-methylprop-2-enamide;urea?
N-but-3-enyl-2-methylprop-2-enamide;urea has a molecular weight of 199.25 g/mol, XLogP of 0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-2-methylprop-2-enamide;urea is sourced from PubChem (CID 87079419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).