1-(1,7-phenanthrolin-6-yl)-3-prop-2-enylurea

C16H14N4O — CID 3964137

IUPAC1-(1,7-phenanthrolin-6-yl)-3-prop-2-enylurea
SMILESC=CCNC(=O)Nc1cc2cccnc2c2cccnc12
InChIInChI=1S/C16H14N4O/c1-2-7-19-16(21)20-13-10-11-5-3-8-17-14(11)12-6-4-9-18-15(12)13/h2-6,8-10H,1,7H2,(H2,19,20,21)
InChIKeySVWNWPIXEHEVBW-UHFFFAOYSA-N
MW278.32 g/mol
LogP3.09
Rot. Bonds3

About 1-(1,7-phenanthrolin-6-yl)-3-prop-2-enylurea

1-(1,7-phenanthrolin-6-yl)-3-prop-2-enylurea (PubChem CID 3964137) has the molecular formula C16H14N4O and a molecular weight of 278.32 g/mol. Its IUPAC name is 1-(1,7-phenanthrolin-6-yl)-3-prop-2-enylurea.

Molecular Properties

Compound Name1-(1,7-phenanthrolin-6-yl)-3-prop-2-enylurea
PubChem CID3964137
Molecular FormulaC16H14N4O
Molecular Weight278.32 g/mol
Exact Mass278.12
IUPAC Name1-(1,7-phenanthrolin-6-yl)-3-prop-2-enylurea
SMILESC=CCNC(=O)Nc1cc2cccnc2c2cccnc12
InChIInChI=1S/C16H14N4O/c1-2-7-19-16(21)20-13-10-11-5-3-8-17-14(11)12-6-4-9-18-15(12)13/h2-6,8-10H,1,7H2,(H2,19,20,21)
InChIKeySVWNWPIXEHEVBW-UHFFFAOYSA-N
XLogP3.09
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-(1,7-phenanthrolin-6-yl)-3-prop-2-enylthiourea
CID 3883419
3-(1,7-phenanthrolin-6-yl)-1,1-di(propan-2-yl)urea
CID 3432209
1-prop-2-enyl-3-[2-(trifluoromethyl)phenyl]urea
CID 52591377
1-cyclohexa-1,5-dien-1-yl-1-(2-hydroxyethyl)-3-(1,7-phenanthrolin-6-yl)urea
CID 4573339
1-(2-chlorophenyl)-3-prop-2-enylurea
CID 4277664
2-N-prop-2-enyl-4-N-quinolin-8-ylpyridine-2,4-dicarboxamide
CID 109079155
1-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)-3-prop-2-enylurea
CID 60620266
1-(1,7-phenanthrolin-6-yl)-3-propan-2-ylthiourea
CID 3983344
2-naphthalen-1-yl-N-prop-2-enylacetamide
CID 60636686
N-prop-2-enyl-4-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109202242
6-oxo-N-(1,10-phenanthrolin-5-yl)heptanamide
CID 20704834
1-(4-phenylphenyl)-3-prop-2-enylurea
CID 23990496

Frequently Asked Questions

What is the IUPAC name of 1-(1,7-phenanthrolin-6-yl)-3-prop-2-enylurea?
The IUPAC name of 1-(1,7-phenanthrolin-6-yl)-3-prop-2-enylurea (CID 3964137) is 1-(1,7-phenanthrolin-6-yl)-3-prop-2-enylurea.
What is the SMILES notation for 1-(1,7-phenanthrolin-6-yl)-3-prop-2-enylurea?
The canonical SMILES for 1-(1,7-phenanthrolin-6-yl)-3-prop-2-enylurea is C=CCNC(=O)Nc1cc2cccnc2c2cccnc12.
What is the InChIKey of 1-(1,7-phenanthrolin-6-yl)-3-prop-2-enylurea?
The InChIKey is SVWNWPIXEHEVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-2-7-19-16(21)20-13-10-11-5-3-8-17-14(11)12-6-4-9-18-15(12)13/h2-6,8-10H,1,7H2,(H2,19,20,21).
What are the key properties of 1-(1,7-phenanthrolin-6-yl)-3-prop-2-enylurea?
1-(1,7-phenanthrolin-6-yl)-3-prop-2-enylurea has a molecular weight of 278.32 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,7-phenanthrolin-6-yl)-3-prop-2-enylurea is sourced from PubChem (CID 3964137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).