1-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-3-[2-(oxan-2-yl)ethyl]urea

C18H24N2O2 — CID 75500372

IUPAC1-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-3-[2-(oxan-2-yl)ethyl]urea
SMILESO=C(NCCC1CCCCO1)NC1C2Cc3ccccc3C21
InChIInChI=1S/C18H24N2O2/c21-18(19-9-8-13-6-3-4-10-22-13)20-17-15-11-12-5-1-2-7-14(12)16(15)17/h1-2,5,7,13,15-17H,3-4,6,8-11H2,(H2,19,20,21)
InChIKeyHOBDTJGTMRMKJF-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.58
Rot. Bonds4

About 1-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-3-[2-(oxan-2-yl)ethyl]urea

1-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-3-[2-(oxan-2-yl)ethyl]urea (PubChem CID 75500372) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-3-[2-(oxan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-3-[2-(oxan-2-yl)ethyl]urea
PubChem CID75500372
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name1-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-3-[2-(oxan-2-yl)ethyl]urea
SMILESO=C(NCCC1CCCCO1)NC1C2Cc3ccccc3C21
InChIInChI=1S/C18H24N2O2/c21-18(19-9-8-13-6-3-4-10-22-13)20-17-15-11-12-5-1-2-7-14(12)16(15)17/h1-2,5,7,13,15-17H,3-4,6,8-11H2,(H2,19,20,21)
InChIKeyHOBDTJGTMRMKJF-UHFFFAOYSA-N
XLogP2.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-3-[2-(oxan-2-yl)ethyl]urea with MolForge

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Related Compounds

1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-(4-hydroxycyclohexyl)urea
CID 122132319
N-(2,3-dihydro-1H-inden-1-ylmethyl)-3-(oxan-2-yl)piperidine-1-carboxamide
CID 132971629
1-(2-Cyclopropyloxan-4-yl)-3-[3-(3-fluorophenyl)propyl]urea
CID 86793296
1-(2-Cyclopropyloxan-4-yl)-3-[2-(2,4-difluorophenyl)propyl]urea
CID 86793358
1-(2-Cyclopropyloxan-4-YL)-3-[2-(3,4,5-trifluorophenyl)ethyl]urea
CID 86793486
1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[2-(3,4,5-trifluorophenyl)ethyl]urea
CID 97881626
1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-[2-(3,4,5-trifluorophenyl)ethyl]urea
CID 97881627
1-[(2R,4R)-2-cyclopropyloxan-4-yl]-3-[2-(3,4,5-trifluorophenyl)ethyl]urea
CID 97881628
1-[(2R,4S)-2-cyclopropyloxan-4-yl]-3-[2-(3,4,5-trifluorophenyl)ethyl]urea
CID 97881629
1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[3-(3-fluorophenyl)propyl]urea
CID 99594726
1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-[3-(3-fluorophenyl)propyl]urea
CID 99594730
1-[(2R,4R)-2-cyclopropyloxan-4-yl]-3-[3-(3-fluorophenyl)propyl]urea
CID 99594732

Frequently Asked Questions

What is the IUPAC name of 1-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-3-[2-(oxan-2-yl)ethyl]urea?
The IUPAC name of 1-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-3-[2-(oxan-2-yl)ethyl]urea (CID 75500372) is 1-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-3-[2-(oxan-2-yl)ethyl]urea.
What is the SMILES notation for 1-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-3-[2-(oxan-2-yl)ethyl]urea?
The canonical SMILES for 1-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-3-[2-(oxan-2-yl)ethyl]urea is O=C(NCCC1CCCCO1)NC1C2Cc3ccccc3C21.
What is the InChIKey of 1-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-3-[2-(oxan-2-yl)ethyl]urea?
The InChIKey is HOBDTJGTMRMKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c21-18(19-9-8-13-6-3-4-10-22-13)20-17-15-11-12-5-1-2-7-14(12)16(15)17/h1-2,5,7,13,15-17H,3-4,6,8-11H2,(H2,19,20,21).
What are the key properties of 1-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-3-[2-(oxan-2-yl)ethyl]urea?
1-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-3-[2-(oxan-2-yl)ethyl]urea has a molecular weight of 300.40 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-3-[2-(oxan-2-yl)ethyl]urea is sourced from PubChem (CID 75500372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).