1-(fluoren-9-ylideneamino)-3-[[(2S)-oxolan-2-yl]methyl]urea

C19H19N3O2 — CID 95068236

IUPAC1-(fluoren-9-ylideneamino)-3-[[(2S)-oxolan-2-yl]methyl]urea
SMILESO=C(NC[C@@H]1CCCO1)NN=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H19N3O2/c23-19(20-12-13-6-5-11-24-13)22-21-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-4,7-10,13H,5-6,11-12H2,(H2,20,22,23)/t13-/m0/s1
InChIKeyVJOMECXOQAYTMO-ZDUSSCGKSA-N
MW321.38 g/mol
LogP2.90
Rot. Bonds3

About 1-(fluoren-9-ylideneamino)-3-[[(2S)-oxolan-2-yl]methyl]urea

1-(fluoren-9-ylideneamino)-3-[[(2S)-oxolan-2-yl]methyl]urea (PubChem CID 95068236) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-(fluoren-9-ylideneamino)-3-[[(2S)-oxolan-2-yl]methyl]urea.

Molecular Properties

Compound Name1-(fluoren-9-ylideneamino)-3-[[(2S)-oxolan-2-yl]methyl]urea
PubChem CID95068236
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name1-(fluoren-9-ylideneamino)-3-[[(2S)-oxolan-2-yl]methyl]urea
SMILESO=C(NC[C@@H]1CCCO1)NN=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H19N3O2/c23-19(20-12-13-6-5-11-24-13)22-21-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-4,7-10,13H,5-6,11-12H2,(H2,20,22,23)/t13-/m0/s1
InChIKeyVJOMECXOQAYTMO-ZDUSSCGKSA-N
XLogP2.90
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]-2-phenylbenzamide
CID 686682
1-(2-iodophenyl)-3-(oxolan-2-ylmethyl)urea
CID 47193009
1-(2-ethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 3764609
1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 94026794
N'-benzyl-N-(oxolan-2-ylmethyl)oxamide
CID 21211581
2-cyclopentyl-3-oxo-N-(oxolan-2-ylmethyl)-1H-isoindole-1-carboxamide
CID 4644788
1-(2-methylsulfanylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 92967958
9,10-dioxo-N-[[(2S)-oxolan-2-yl]methyl]anthracene-2-carboxamide
CID 42559548
1-(oxolan-2-ylmethyl)-3-(1-phenylcyclopentyl)urea
CID 110676481
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
N-(oxolan-2-ylmethyl)-N'-phenyloxamide
CID 3114289
N-[[(2S)-oxolan-2-yl]methyl]-9H-xanthene-9-carboxamide
CID 752957

Frequently Asked Questions

What is the IUPAC name of 1-(fluoren-9-ylideneamino)-3-[[(2S)-oxolan-2-yl]methyl]urea?
The IUPAC name of 1-(fluoren-9-ylideneamino)-3-[[(2S)-oxolan-2-yl]methyl]urea (CID 95068236) is 1-(fluoren-9-ylideneamino)-3-[[(2S)-oxolan-2-yl]methyl]urea.
What is the SMILES notation for 1-(fluoren-9-ylideneamino)-3-[[(2S)-oxolan-2-yl]methyl]urea?
The canonical SMILES for 1-(fluoren-9-ylideneamino)-3-[[(2S)-oxolan-2-yl]methyl]urea is O=C(NC[C@@H]1CCCO1)NN=C1c2ccccc2-c2ccccc21.
What is the InChIKey of 1-(fluoren-9-ylideneamino)-3-[[(2S)-oxolan-2-yl]methyl]urea?
The InChIKey is VJOMECXOQAYTMO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-19(20-12-13-6-5-11-24-13)22-21-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-4,7-10,13H,5-6,11-12H2,(H2,20,22,23)/t13-/m0/s1.
What are the key properties of 1-(fluoren-9-ylideneamino)-3-[[(2S)-oxolan-2-yl]methyl]urea?
1-(fluoren-9-ylideneamino)-3-[[(2S)-oxolan-2-yl]methyl]urea has a molecular weight of 321.38 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoren-9-ylideneamino)-3-[[(2S)-oxolan-2-yl]methyl]urea is sourced from PubChem (CID 95068236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).