1-(prop-2-enylamino)-1-(1H-pyrrol-2-yl)urea

C8H12N4O — CID 67938274

IUPAC1-(prop-2-enylamino)-1-(1H-pyrrol-2-yl)urea
SMILESC=CCNN(C(N)=O)c1ccc[nH]1
InChIInChI=1S/C8H12N4O/c1-2-5-11-12(8(9)13)7-4-3-6-10-7/h2-4,6,10-11H,1,5H2,(H2,9,13)
InChIKeyZLZOUKAMUNNXCF-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.59
Rot. Bonds4

About 1-(prop-2-enylamino)-1-(1H-pyrrol-2-yl)urea

1-(prop-2-enylamino)-1-(1H-pyrrol-2-yl)urea (PubChem CID 67938274) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-(prop-2-enylamino)-1-(1H-pyrrol-2-yl)urea.

Molecular Properties

Compound Name1-(prop-2-enylamino)-1-(1H-pyrrol-2-yl)urea
PubChem CID67938274
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name1-(prop-2-enylamino)-1-(1H-pyrrol-2-yl)urea
SMILESC=CCNN(C(N)=O)c1ccc[nH]1
InChIInChI=1S/C8H12N4O/c1-2-5-11-12(8(9)13)7-4-3-6-10-7/h2-4,6,10-11H,1,5H2,(H2,9,13)
InChIKeyZLZOUKAMUNNXCF-UHFFFAOYSA-N
XLogP0.59
TPSA74.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1H-pyrrol-2-yl)but-3-en-1-one
CID 68802026
1-(4-chlorobenzoyl)-1-(prop-2-enylamino)urea
CID 141195800
4-amino-N,2,2-trimethyl-N-(1H-pyrrol-2-yl)butanamide
CID 115156967
N'-(1H-pyrrol-2-ylmethyl)oxamide
CID 115191836
3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]benzamide
CID 54842423
(2Z)-2-ethenyl-3-formyl-N-methyl-N-(1H-pyrrol-2-yl)penta-2,4-dienamide
CID 143087649
2-prop-2-enyl-1H-pyrrole
CID 527534
N-methylprop-2-en-1-amine;prop-2-enamide
CID 175303196
N,N-bis(prop-2-enylamino)aniline
CID 70255939
N-pentyl-N-(1H-pyrrol-2-yl)formamide
CID 173285327
N-methyl-4-oxo-N-(1H-pyrrol-2-yl)pentanamide
CID 115176799
1-phenoxy-3-prop-2-enylurea
CID 119090624

Frequently Asked Questions

What is the IUPAC name of 1-(prop-2-enylamino)-1-(1H-pyrrol-2-yl)urea?
The IUPAC name of 1-(prop-2-enylamino)-1-(1H-pyrrol-2-yl)urea (CID 67938274) is 1-(prop-2-enylamino)-1-(1H-pyrrol-2-yl)urea.
What is the SMILES notation for 1-(prop-2-enylamino)-1-(1H-pyrrol-2-yl)urea?
The canonical SMILES for 1-(prop-2-enylamino)-1-(1H-pyrrol-2-yl)urea is C=CCNN(C(N)=O)c1ccc[nH]1.
What is the InChIKey of 1-(prop-2-enylamino)-1-(1H-pyrrol-2-yl)urea?
The InChIKey is ZLZOUKAMUNNXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-2-5-11-12(8(9)13)7-4-3-6-10-7/h2-4,6,10-11H,1,5H2,(H2,9,13).
What are the key properties of 1-(prop-2-enylamino)-1-(1H-pyrrol-2-yl)urea?
1-(prop-2-enylamino)-1-(1H-pyrrol-2-yl)urea has a molecular weight of 180.21 g/mol, XLogP of 0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(prop-2-enylamino)-1-(1H-pyrrol-2-yl)urea is sourced from PubChem (CID 67938274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).