1-(2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-5-yl)-3-prop-2-enylurea

C14H20N4O3 — CID 3376500

IUPAC1-(2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-5-yl)-3-prop-2-enylurea
SMILESC=CCNC(=O)NC1CC2C(=O)N3CCCC3C(=O)N2C1
InChIInChI=1S/C14H20N4O3/c1-2-5-15-14(21)16-9-7-11-13(20)17-6-3-4-10(17)12(19)18(11)8-9/h2,9-11H,1,3-8H2,(H2,15,16,21)
InChIKeyTVYHBNGBBRZPIL-UHFFFAOYSA-N
MW292.34 g/mol
LogP-0.55
Rot. Bonds3

About 1-(2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-5-yl)-3-prop-2-enylurea

1-(2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-5-yl)-3-prop-2-enylurea (PubChem CID 3376500) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-(2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-5-yl)-3-prop-2-enylurea.

Molecular Properties

Compound Name1-(2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-5-yl)-3-prop-2-enylurea
PubChem CID3376500
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name1-(2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-5-yl)-3-prop-2-enylurea
SMILESC=CCNC(=O)NC1CC2C(=O)N3CCCC3C(=O)N2C1
InChIInChI=1S/C14H20N4O3/c1-2-5-15-14(21)16-9-7-11-13(20)17-6-3-4-10(17)12(19)18(11)8-9/h2,9-11H,1,3-8H2,(H2,15,16,21)
InChIKeyTVYHBNGBBRZPIL-UHFFFAOYSA-N
XLogP-0.55
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(4R,7S,8aS)-1-oxo-4-(3-oxo-3-pyrrolidin-1-ylpropyl)-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]-3-propan-2-ylurea
CID 26762149
N-cyclohexyl-N'-[(2S,5aR,10aS)-5,10-dioxooctahydro-1H,5H-dipyrrolo[1,2-a:1',2'-d]pyrazin-2-yl]urea
CID 40592440
1-(2,8-Dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl)-3-propan-2-ylurea
CID 3293967
1-(1,4-Dioxo-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl)-3-prop-2-enylurea
CID 3557872
1-(1,3-dioxo-2-prop-2-enyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl)-3-propan-2-ylurea
CID 3717491
1-(2,8-Dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl)-3-prop-2-enylurea
CID 4356562
1-Cyclohexyl-3-(2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-5-yl)urea
CID 4388610
1-[(3S,5S,9R)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-5-yl]-3-propan-2-ylurea
CID 11865726
1-[(3S,5S,9R)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-5-yl]-3-prop-2-enylurea
CID 11865729
1-[(3S,4S,9R)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]-3-propan-2-ylurea
CID 11865737
1-[(3S,4S,9R)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]-3-prop-2-enylurea
CID 11865739
1-[(3R,8S,8aS)-1,4-dioxo-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl]-3-prop-2-enylurea
CID 11865769

Frequently Asked Questions

What is the IUPAC name of 1-(2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-5-yl)-3-prop-2-enylurea?
The IUPAC name of 1-(2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-5-yl)-3-prop-2-enylurea (CID 3376500) is 1-(2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-5-yl)-3-prop-2-enylurea.
What is the SMILES notation for 1-(2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-5-yl)-3-prop-2-enylurea?
The canonical SMILES for 1-(2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-5-yl)-3-prop-2-enylurea is C=CCNC(=O)NC1CC2C(=O)N3CCCC3C(=O)N2C1.
What is the InChIKey of 1-(2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-5-yl)-3-prop-2-enylurea?
The InChIKey is TVYHBNGBBRZPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-2-5-15-14(21)16-9-7-11-13(20)17-6-3-4-10(17)12(19)18(11)8-9/h2,9-11H,1,3-8H2,(H2,15,16,21).
What are the key properties of 1-(2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-5-yl)-3-prop-2-enylurea?
1-(2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-5-yl)-3-prop-2-enylurea has a molecular weight of 292.34 g/mol, XLogP of -0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-5-yl)-3-prop-2-enylurea is sourced from PubChem (CID 3376500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).