1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-naphthalen-2-ylurea

C19H23N3O — CID 78891490

IUPAC1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-naphthalen-2-ylurea
SMILESO=C(Nc1ccc2ccccc2c1)NC1CCN2CCCCC12
InChIInChI=1S/C19H23N3O/c23-19(21-17-10-12-22-11-4-3-7-18(17)22)20-16-9-8-14-5-1-2-6-15(14)13-16/h1-2,5-6,8-9,13,17-18H,3-4,7,10-12H2,(H2,20,21,23)
InChIKeySCKYYLTVHARDDK-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.59
Rot. Bonds2

About 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-naphthalen-2-ylurea

1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-naphthalen-2-ylurea (PubChem CID 78891490) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-naphthalen-2-ylurea.

Molecular Properties

Compound Name1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-naphthalen-2-ylurea
PubChem CID78891490
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-naphthalen-2-ylurea
SMILESO=C(Nc1ccc2ccccc2c1)NC1CCN2CCCCC12
InChIInChI=1S/C19H23N3O/c23-19(21-17-10-12-22-11-4-3-7-18(17)22)20-16-9-8-14-5-1-2-6-15(14)13-16/h1-2,5-6,8-9,13,17-18H,3-4,7,10-12H2,(H2,20,21,23)
InChIKeySCKYYLTVHARDDK-UHFFFAOYSA-N
XLogP3.59
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-naphthalen-2-yl-3-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]urea
CID 133138704
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)naphthalene-2-carboxamide
CID 75414949
N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-naphthalen-2-yloxyacetamide
CID 100851447
1-(1-methylpiperidin-4-yl)-3-naphthalen-2-ylurea
CID 78832160
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(3-pyrazol-1-ylphenyl)urea
CID 47042960
1-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(6-piperidin-1-yl-3-pyridinyl)urea
CID 100852720
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 127300730
1-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(1-benzylpyrazol-3-yl)urea
CID 100836677
1-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 100839972
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide
CID 60770068
1-[(E)-2-cyclopropylethenyl]-3-naphthalen-2-ylurea
CID 108915883
2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)benzamide;dihydrochloride
CID 119946727

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-naphthalen-2-ylurea?
The IUPAC name of 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-naphthalen-2-ylurea (CID 78891490) is 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-naphthalen-2-ylurea.
What is the SMILES notation for 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-naphthalen-2-ylurea?
The canonical SMILES for 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-naphthalen-2-ylurea is O=C(Nc1ccc2ccccc2c1)NC1CCN2CCCCC12.
What is the InChIKey of 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-naphthalen-2-ylurea?
The InChIKey is SCKYYLTVHARDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c23-19(21-17-10-12-22-11-4-3-7-18(17)22)20-16-9-8-14-5-1-2-6-15(14)13-16/h1-2,5-6,8-9,13,17-18H,3-4,7,10-12H2,(H2,20,21,23).
What are the key properties of 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-naphthalen-2-ylurea?
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-naphthalen-2-ylurea has a molecular weight of 309.41 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-naphthalen-2-ylurea is sourced from PubChem (CID 78891490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).