2-(2-methylprop-2-enyl)oxirane;urea

C7H14N2O2 — CID 159105075

IUPAC2-(2-methylprop-2-enyl)oxirane;urea
SMILESC=C(C)CC1CO1.NC(N)=O
InChIInChI=1S/C6H10O.CH4N2O/c1-5(2)3-6-4-7-6;2-1(3)4/h6H,1,3-4H2,2H3;(H4,2,3,4)
InChIKeyKDTWPDJRCFYRBI-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.38
Rot. Bonds2

About 2-(2-methylprop-2-enyl)oxirane;urea

2-(2-methylprop-2-enyl)oxirane;urea (PubChem CID 159105075) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-(2-methylprop-2-enyl)oxirane;urea.

Molecular Properties

Compound Name2-(2-methylprop-2-enyl)oxirane;urea
PubChem CID159105075
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name2-(2-methylprop-2-enyl)oxirane;urea
SMILESC=C(C)CC1CO1.NC(N)=O
InChIInChI=1S/C6H10O.CH4N2O/c1-5(2)3-6-4-7-6;2-1(3)4/h6H,1,3-4H2,2H3;(H4,2,3,4)
InChIKeyKDTWPDJRCFYRBI-UHFFFAOYSA-N
XLogP0.38
TPSA81.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-(oxiran-2-yl)propan-2-one
CID 15110788
2-(oxiran-2-ylmethyl)prop-2-enylideneurea
CID 174335630
[(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 904806
2-methylbut-2-enoic acid;2-(oxiran-2-ylmethyl)prop-2-enoic acid
CID 173148630
methane;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87151920
formaldehyde;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 159353031
oxiran-2-ylmethyl 2-methylprop-2-enoate;oxosilane
CID 174970981
ethane-1,2-diol;bis(2-(oxiran-2-ylmethyl)prop-2-enoic acid)
CID 174976815
2-(oxiran-2-ylmethyl)prop-2-enoyl 2-methylbut-2-enoate
CID 173148627
2-methylidene-8-(oxiran-2-yl)octanamide
CID 135222774
2-methyl-4-(oxiran-2-yl)but-2-enoic acid;2-(oxiran-2-ylmethyl)prop-2-enoic acid
CID 173299957
1-ethyl-1-(oxiran-2-ylmethyl)urea
CID 141285145

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enyl)oxirane;urea?
The IUPAC name of 2-(2-methylprop-2-enyl)oxirane;urea (CID 159105075) is 2-(2-methylprop-2-enyl)oxirane;urea.
What is the SMILES notation for 2-(2-methylprop-2-enyl)oxirane;urea?
The canonical SMILES for 2-(2-methylprop-2-enyl)oxirane;urea is C=C(C)CC1CO1.NC(N)=O.
What is the InChIKey of 2-(2-methylprop-2-enyl)oxirane;urea?
The InChIKey is KDTWPDJRCFYRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.CH4N2O/c1-5(2)3-6-4-7-6;2-1(3)4/h6H,1,3-4H2,2H3;(H4,2,3,4).
What are the key properties of 2-(2-methylprop-2-enyl)oxirane;urea?
2-(2-methylprop-2-enyl)oxirane;urea has a molecular weight of 158.20 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enyl)oxirane;urea is sourced from PubChem (CID 159105075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).