1-propan-2-yl-3-prop-2-ynylurea

C7H12N2O — CID 14344955

IUPAC1-propan-2-yl-3-prop-2-ynylurea
SMILESC#CCNC(=O)NC(C)C
InChIInChI=1S/C7H12N2O/c1-4-5-8-7(10)9-6(2)3/h1,6H,5H2,2-3H3,(H2,8,9,10)
InChIKeySWGYIPBCIJCKOG-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.33
Rot. Bonds2

About 1-propan-2-yl-3-prop-2-ynylurea

1-propan-2-yl-3-prop-2-ynylurea (PubChem CID 14344955) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-propan-2-yl-3-prop-2-ynylurea.

Molecular Properties

Compound Name1-propan-2-yl-3-prop-2-ynylurea
PubChem CID14344955
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name1-propan-2-yl-3-prop-2-ynylurea
SMILESC#CCNC(=O)NC(C)C
InChIInChI=1S/C7H12N2O/c1-4-5-8-7(10)9-6(2)3/h1,6H,5H2,2-3H3,(H2,8,9,10)
InChIKeySWGYIPBCIJCKOG-UHFFFAOYSA-N
XLogP0.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-(prop-2-ynylcarbamoylamino)butanoic acid
CID 24703795
1-(2-methylpropyl)-3-prop-2-ynylurea
CID 130662493
1-but-2-ynyl-3-propan-2-ylurea
CID 115865637
5-(prop-2-ynylcarbamoylamino)hexanoic acid
CID 82846572
(2R)-3-hydroxy-2-(prop-2-ynylcarbamoylamino)propanoic acid
CID 80751293
2-iodo-N-prop-2-ynylpropanamide
CID 64789120
1-acetamido-3-prop-2-ynylurea
CID 130694589
ethane;1-ethyl-3-propan-2-ylurea
CID 156793066
2-(prop-2-ynylcarbamoylamino)pentanoic acid
CID 24704064
3-methoxy-2-(prop-2-ynylcarbamoylamino)propanoic acid
CID 81084281
(2R)-4-hydroxy-2-(prop-2-ynylcarbamoylamino)butanoic acid
CID 107825465
1-benzhydryl-3-prop-2-ynylurea
CID 41304336

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-prop-2-ynylurea?
The IUPAC name of 1-propan-2-yl-3-prop-2-ynylurea (CID 14344955) is 1-propan-2-yl-3-prop-2-ynylurea.
What is the SMILES notation for 1-propan-2-yl-3-prop-2-ynylurea?
The canonical SMILES for 1-propan-2-yl-3-prop-2-ynylurea is C#CCNC(=O)NC(C)C.
What is the InChIKey of 1-propan-2-yl-3-prop-2-ynylurea?
The InChIKey is SWGYIPBCIJCKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-4-5-8-7(10)9-6(2)3/h1,6H,5H2,2-3H3,(H2,8,9,10).
What are the key properties of 1-propan-2-yl-3-prop-2-ynylurea?
1-propan-2-yl-3-prop-2-ynylurea has a molecular weight of 140.19 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-prop-2-ynylurea is sourced from PubChem (CID 14344955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).