[1-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-1-oxopropan-2-yl]urea

C14H23N3O2 — CID 47463825

IUPAC[1-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-1-oxopropan-2-yl]urea
SMILESCC(NC(N)=O)C(=O)N1CC2CC3CC(C2)CC1C3
InChIInChI=1S/C14H23N3O2/c1-8(16-14(15)19)13(18)17-7-11-3-9-2-10(4-11)6-12(17)5-9/h8-12H,2-7H2,1H3,(H3,15,16,19)
InChIKeyBBPZCPVGJJDDSV-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.08
Rot. Bonds2

About [1-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-1-oxopropan-2-yl]urea

[1-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-1-oxopropan-2-yl]urea (PubChem CID 47463825) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is [1-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-1-oxopropan-2-yl]urea.

Molecular Properties

Compound Name[1-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-1-oxopropan-2-yl]urea
PubChem CID47463825
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name[1-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-1-oxopropan-2-yl]urea
SMILESCC(NC(N)=O)C(=O)N1CC2CC3CC(C2)CC1C3
InChIInChI=1S/C14H23N3O2/c1-8(16-14(15)19)13(18)17-7-11-3-9-2-10(4-11)6-12(17)5-9/h8-12H,2-7H2,1H3,(H3,15,16,19)
InChIKeyBBPZCPVGJJDDSV-UHFFFAOYSA-N
XLogP1.08
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-1-oxopropan-2-yl]urea?
The IUPAC name of [1-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-1-oxopropan-2-yl]urea (CID 47463825) is [1-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-1-oxopropan-2-yl]urea.
What is the SMILES notation for [1-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-1-oxopropan-2-yl]urea?
The canonical SMILES for [1-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-1-oxopropan-2-yl]urea is CC(NC(N)=O)C(=O)N1CC2CC3CC(C2)CC1C3.
What is the InChIKey of [1-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-1-oxopropan-2-yl]urea?
The InChIKey is BBPZCPVGJJDDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-8(16-14(15)19)13(18)17-7-11-3-9-2-10(4-11)6-12(17)5-9/h8-12H,2-7H2,1H3,(H3,15,16,19).
What are the key properties of [1-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-1-oxopropan-2-yl]urea?
[1-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-1-oxopropan-2-yl]urea has a molecular weight of 265.36 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-1-oxopropan-2-yl]urea is sourced from PubChem (CID 47463825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).