1-(2-bromoprop-2-enyl)-3-[(2R,4S)-2-cyclopropyloxan-4-yl]urea

C12H19BrN2O2 — CID 99578632

IUPAC1-(2-bromoprop-2-enyl)-3-[(2R,4S)-2-cyclopropyloxan-4-yl]urea
SMILESC=C(Br)CNC(=O)N[C@H]1CCO[C@@H](C2CC2)C1
InChIInChI=1S/C12H19BrN2O2/c1-8(13)7-14-12(16)15-10-4-5-17-11(6-10)9-2-3-9/h9-11H,1-7H2,(H2,14,15,16)/t10-,11+/m0/s1
InChIKeyXGVKMKFMXBRAAF-WDEREUQCSA-N
MW303.20 g/mol
LogP2.15
Rot. Bonds4

About 1-(2-bromoprop-2-enyl)-3-[(2R,4S)-2-cyclopropyloxan-4-yl]urea

1-(2-bromoprop-2-enyl)-3-[(2R,4S)-2-cyclopropyloxan-4-yl]urea (PubChem CID 99578632) has the molecular formula C12H19BrN2O2 and a molecular weight of 303.20 g/mol. Its IUPAC name is 1-(2-bromoprop-2-enyl)-3-[(2R,4S)-2-cyclopropyloxan-4-yl]urea.

Molecular Properties

Compound Name1-(2-bromoprop-2-enyl)-3-[(2R,4S)-2-cyclopropyloxan-4-yl]urea
PubChem CID99578632
Molecular FormulaC12H19BrN2O2
Molecular Weight303.20 g/mol
Exact Mass302.06
IUPAC Name1-(2-bromoprop-2-enyl)-3-[(2R,4S)-2-cyclopropyloxan-4-yl]urea
SMILESC=C(Br)CNC(=O)N[C@H]1CCO[C@@H](C2CC2)C1
InChIInChI=1S/C12H19BrN2O2/c1-8(13)7-14-12(16)15-10-4-5-17-11(6-10)9-2-3-9/h9-11H,1-7H2,(H2,14,15,16)/t10-,11+/m0/s1
InChIKeyXGVKMKFMXBRAAF-WDEREUQCSA-N
XLogP2.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2-bromoprop-2-enyl)-3-[(2R,4S)-2-cyclopropyloxan-4-yl]urea with MolForge

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Related Compounds

1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea
CID 99616040
1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea
CID 99616041
1-(2-cyclopropyloxan-4-yl)-3-(3-ethylsulfanylcyclopentyl)urea
CID 86793360
1-[(2R,4S)-2-cyclopropyloxan-4-yl]-3-[(1S,3R)-3-ethylsulfanylcyclopentyl]urea
CID 129445949
1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]urea
CID 99625310
N-[2-[[(2R,4S)-2-cyclopropyloxan-4-yl]carbamoylamino]ethyl]-2-fluorobenzamide
CID 124571830
1-(2-cyclopropyloxan-4-yl)-3-(naphthalen-2-ylmethyl)urea
CID 86793796
1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]urea
CID 124888151
1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[(2R)-2-(4-methylphenoxy)propyl]urea
CID 129374206
1-(2-cyclopropyloxan-4-yl)-3-[2-(2,4-difluorophenyl)propyl]urea
CID 86793358
1-(2-cyclopropyloxan-4-yl)-3-[2-(3-methylphenyl)propyl]urea
CID 91660622
1-(2-chloroprop-2-enyl)-3-(oxolan-3-yl)urea
CID 115759096

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoprop-2-enyl)-3-[(2R,4S)-2-cyclopropyloxan-4-yl]urea?
The IUPAC name of 1-(2-bromoprop-2-enyl)-3-[(2R,4S)-2-cyclopropyloxan-4-yl]urea (CID 99578632) is 1-(2-bromoprop-2-enyl)-3-[(2R,4S)-2-cyclopropyloxan-4-yl]urea.
What is the SMILES notation for 1-(2-bromoprop-2-enyl)-3-[(2R,4S)-2-cyclopropyloxan-4-yl]urea?
The canonical SMILES for 1-(2-bromoprop-2-enyl)-3-[(2R,4S)-2-cyclopropyloxan-4-yl]urea is C=C(Br)CNC(=O)N[C@H]1CCO[C@@H](C2CC2)C1.
What is the InChIKey of 1-(2-bromoprop-2-enyl)-3-[(2R,4S)-2-cyclopropyloxan-4-yl]urea?
The InChIKey is XGVKMKFMXBRAAF-WDEREUQCSA-N. The full InChI is InChI=1S/C12H19BrN2O2/c1-8(13)7-14-12(16)15-10-4-5-17-11(6-10)9-2-3-9/h9-11H,1-7H2,(H2,14,15,16)/t10-,11+/m0/s1.
What are the key properties of 1-(2-bromoprop-2-enyl)-3-[(2R,4S)-2-cyclopropyloxan-4-yl]urea?
1-(2-bromoprop-2-enyl)-3-[(2R,4S)-2-cyclopropyloxan-4-yl]urea has a molecular weight of 303.20 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoprop-2-enyl)-3-[(2R,4S)-2-cyclopropyloxan-4-yl]urea is sourced from PubChem (CID 99578632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).