1-methyl-3-[(1R,2R)-2-propylcyclopropyl]urea

C8H16N2O — CID 130628740

IUPAC1-methyl-3-[(1R,2R)-2-propylcyclopropyl]urea
SMILESCCC[C@@H]1C[C@H]1NC(=O)NC
InChIInChI=1S/C8H16N2O/c1-3-4-6-5-7(6)10-8(11)9-2/h6-7H,3-5H2,1-2H3,(H2,9,10,11)/t6-,7-/m1/s1
InChIKeyBZSVQWCCGIENMD-RNFRBKRXSA-N
MW156.23 g/mol
LogP1.10
Rot. Bonds3

About 1-methyl-3-[(1R,2R)-2-propylcyclopropyl]urea

1-methyl-3-[(1R,2R)-2-propylcyclopropyl]urea (PubChem CID 130628740) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-methyl-3-[(1R,2R)-2-propylcyclopropyl]urea.

Molecular Properties

Compound Name1-methyl-3-[(1R,2R)-2-propylcyclopropyl]urea
PubChem CID130628740
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-methyl-3-[(1R,2R)-2-propylcyclopropyl]urea
SMILESCCC[C@@H]1C[C@H]1NC(=O)NC
InChIInChI=1S/C8H16N2O/c1-3-4-6-5-7(6)10-8(11)9-2/h6-7H,3-5H2,1-2H3,(H2,9,10,11)/t6-,7-/m1/s1
InChIKeyBZSVQWCCGIENMD-RNFRBKRXSA-N
XLogP1.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-3-[[2-(methylcarbamoylamino)cyclopropyl]methyl]urea
CID 138569359
1-(1-cyclopropylpiperidin-4-yl)-3-(2-propylcyclopropyl)urea
CID 71925999
4-[(2-propylcyclopropyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 114111471
1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(2-propylcyclopropyl)urea
CID 75374838
1-(1-hydroxy-4-methylpentan-3-yl)-3-(2-propylcyclopropyl)urea
CID 111509411
2-[(2-propylcyclopropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 106704168
1-[[(2-propylcyclopropyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 114111546
2-[(2-propylcyclopropyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 114110539
(2S)-2-amino-3,3-dimethyl-N-(2-propylcyclopropyl)butanamide
CID 103812752
2-amino-N-[2-oxo-2-[(2-propylcyclopropyl)amino]ethyl]acetamide
CID 104872551
1-(2-propylcyclopropyl)-3-(thiadiazol-5-yl)urea
CID 119049279
1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-propylcyclopropyl)urea
CID 111505588

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(1R,2R)-2-propylcyclopropyl]urea?
The IUPAC name of 1-methyl-3-[(1R,2R)-2-propylcyclopropyl]urea (CID 130628740) is 1-methyl-3-[(1R,2R)-2-propylcyclopropyl]urea.
What is the SMILES notation for 1-methyl-3-[(1R,2R)-2-propylcyclopropyl]urea?
The canonical SMILES for 1-methyl-3-[(1R,2R)-2-propylcyclopropyl]urea is CCC[C@@H]1C[C@H]1NC(=O)NC.
What is the InChIKey of 1-methyl-3-[(1R,2R)-2-propylcyclopropyl]urea?
The InChIKey is BZSVQWCCGIENMD-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H16N2O/c1-3-4-6-5-7(6)10-8(11)9-2/h6-7H,3-5H2,1-2H3,(H2,9,10,11)/t6-,7-/m1/s1.
What are the key properties of 1-methyl-3-[(1R,2R)-2-propylcyclopropyl]urea?
1-methyl-3-[(1R,2R)-2-propylcyclopropyl]urea has a molecular weight of 156.23 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(1R,2R)-2-propylcyclopropyl]urea is sourced from PubChem (CID 130628740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).