1-propyl-3-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylurea

C18H26N2O2 — CID 126468272

IUPAC1-propyl-3-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylurea
SMILESCCCNC(=O)NC1CC2(CCCCC2)Oc2ccccc21
InChIInChI=1S/C18H26N2O2/c1-2-12-19-17(21)20-15-13-18(10-6-3-7-11-18)22-16-9-5-4-8-14(15)16/h4-5,8-9,15H,2-3,6-7,10-13H2,1H3,(H2,19,20,21)
InChIKeyZUHIPYWTEZBHMV-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.92
Rot. Bonds3

About 1-propyl-3-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylurea

1-propyl-3-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylurea (PubChem CID 126468272) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-propyl-3-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylurea.

Molecular Properties

Compound Name1-propyl-3-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylurea
PubChem CID126468272
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-propyl-3-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylurea
SMILESCCCNC(=O)NC1CC2(CCCCC2)Oc2ccccc21
InChIInChI=1S/C18H26N2O2/c1-2-12-19-17(21)20-15-13-18(10-6-3-7-11-18)22-16-9-5-4-8-14(15)16/h4-5,8-9,15H,2-3,6-7,10-13H2,1H3,(H2,19,20,21)
InChIKeyZUHIPYWTEZBHMV-UHFFFAOYSA-N
XLogP3.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylurea?
The IUPAC name of 1-propyl-3-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylurea (CID 126468272) is 1-propyl-3-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylurea.
What is the SMILES notation for 1-propyl-3-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylurea?
The canonical SMILES for 1-propyl-3-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylurea is CCCNC(=O)NC1CC2(CCCCC2)Oc2ccccc21.
What is the InChIKey of 1-propyl-3-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylurea?
The InChIKey is ZUHIPYWTEZBHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-2-12-19-17(21)20-15-13-18(10-6-3-7-11-18)22-16-9-5-4-8-14(15)16/h4-5,8-9,15H,2-3,6-7,10-13H2,1H3,(H2,19,20,21).
What are the key properties of 1-propyl-3-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylurea?
1-propyl-3-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylurea has a molecular weight of 302.42 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylurea is sourced from PubChem (CID 126468272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).