1-[(3S,4S,9R)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]-3-prop-2-enylurea

C14H20N4O3 — CID 11865739

IUPAC1-[(3S,4S,9R)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]-3-prop-2-enylurea
SMILESC=CCNC(=O)N[C@H]1CCN2C(=O)[C@H]3CCCN3C(=O)[C@H]12
InChIInChI=1S/C14H20N4O3/c1-2-6-15-14(21)16-9-5-8-18-11(9)13(20)17-7-3-4-10(17)12(18)19/h2,9-11H,1,3-8H2,(H2,15,16,21)/t9-,10+,11-/m0/s1
InChIKeyUFUJSAPOMJDWPM-AXFHLTTASA-N
MW292.34 g/mol
LogP-0.55
Rot. Bonds3

About 1-[(3S,4S,9R)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]-3-prop-2-enylurea

1-[(3S,4S,9R)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]-3-prop-2-enylurea (PubChem CID 11865739) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-[(3S,4S,9R)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]-3-prop-2-enylurea.

Molecular Properties

Compound Name1-[(3S,4S,9R)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]-3-prop-2-enylurea
PubChem CID11865739
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name1-[(3S,4S,9R)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]-3-prop-2-enylurea
SMILESC=CCNC(=O)N[C@H]1CCN2C(=O)[C@H]3CCCN3C(=O)[C@H]12
InChIInChI=1S/C14H20N4O3/c1-2-6-15-14(21)16-9-5-8-18-11(9)13(20)17-7-3-4-10(17)12(18)19/h2,9-11H,1,3-8H2,(H2,15,16,21)/t9-,10+,11-/m0/s1
InChIKeyUFUJSAPOMJDWPM-AXFHLTTASA-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'}

Analyze 1-[(3S,4S,9R)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]-3-prop-2-enylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
1-(2,8-Dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl)-3-propan-2-ylurea
CID 3293967
1-(2,8-Dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-5-yl)-3-prop-2-enylurea
CID 3376500
1-(3-Methyl-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl)-3-propan-2-ylurea
CID 3467374
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-[(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-[(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
1-[1-(Pyrrolidine-2-carbonyl)piperidin-4-yl]imidazolidin-2-one
CID 54872416

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4S,9R)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]-3-prop-2-enylurea?
The IUPAC name of 1-[(3S,4S,9R)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]-3-prop-2-enylurea (CID 11865739) is 1-[(3S,4S,9R)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]-3-prop-2-enylurea.
What is the SMILES notation for 1-[(3S,4S,9R)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]-3-prop-2-enylurea?
The canonical SMILES for 1-[(3S,4S,9R)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]-3-prop-2-enylurea is C=CCNC(=O)N[C@H]1CCN2C(=O)[C@H]3CCCN3C(=O)[C@H]12.
What is the InChIKey of 1-[(3S,4S,9R)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]-3-prop-2-enylurea?
The InChIKey is UFUJSAPOMJDWPM-AXFHLTTASA-N. The full InChI is InChI=1S/C14H20N4O3/c1-2-6-15-14(21)16-9-5-8-18-11(9)13(20)17-7-3-4-10(17)12(18)19/h2,9-11H,1,3-8H2,(H2,15,16,21)/t9-,10+,11-/m0/s1.
What are the key properties of 1-[(3S,4S,9R)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]-3-prop-2-enylurea?
1-[(3S,4S,9R)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-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-[(3S,4S,9R)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]-3-prop-2-enylurea is sourced from PubChem (CID 11865739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).