hydron;1-(2-methylpropyl)-3-prop-2-enylurea

C8H17N2O+ — CID 174433469

IUPAChydron;1-(2-methylpropyl)-3-prop-2-enylurea
SMILESC=CCNC(=O)NCC(C)C.[H+]
InChIInChI=1S/C8H16N2O/c1-4-5-9-8(11)10-6-7(2)3/h4,7H,1,5-6H2,2-3H3,(H2,9,10,11)/p+1
InChIKeyQEWHEEPNRMOMLV-UHFFFAOYSA-O
MW157.24 g/mol
LogP1.24
Rot. Bonds4

About hydron;1-(2-methylpropyl)-3-prop-2-enylurea

hydron;1-(2-methylpropyl)-3-prop-2-enylurea (PubChem CID 174433469) has the molecular formula C8H17N2O+ and a molecular weight of 157.24 g/mol. Its IUPAC name is hydron;1-(2-methylpropyl)-3-prop-2-enylurea.

Molecular Properties

Compound Namehydron;1-(2-methylpropyl)-3-prop-2-enylurea
PubChem CID174433469
Molecular FormulaC8H17N2O+
Molecular Weight157.24 g/mol
Exact Mass157.13
IUPAC Namehydron;1-(2-methylpropyl)-3-prop-2-enylurea
SMILESC=CCNC(=O)NCC(C)C.[H+]
InChIInChI=1S/C8H16N2O/c1-4-5-9-8(11)10-6-7(2)3/h4,7H,1,5-6H2,2-3H3,(H2,9,10,11)/p+1
InChIKeyQEWHEEPNRMOMLV-UHFFFAOYSA-O
XLogP1.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylpropyl)-3-(2-oxoethyl)urea
CID 117235660
1-(2,2-difluoroethyl)-3-prop-2-enylurea;hydrochloride
CID 131224415
1-N'-(2-methylpropyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
CID 108970779
N-(2-methylpropyl)-3-(prop-2-enylamino)propanamide
CID 109011984
1-(2-methylpropyl)-3-(2-sulfanylpropyl)urea
CID 163779477
1-(2-hydroxyethyl)-3-prop-2-enylurea
CID 87694211
2-methyl-N-prop-2-enylpropanamide;dihydrochloride
CID 174572104
3-methyl-2-(prop-2-enylcarbamoylamino)butanoic acid
CID 3947242
S-(3-methylbutyl) 3-(prop-2-enylcarbamoylamino)propanethioate
CID 155458254
1-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-prop-2-enylurea
CID 90598260
N-(2-methylpropylcarbamoyl)-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide
CID 42934015
N-(prop-2-enylcarbamoyl)formamide
CID 87901285

Frequently Asked Questions

What is the IUPAC name of hydron;1-(2-methylpropyl)-3-prop-2-enylurea?
The IUPAC name of hydron;1-(2-methylpropyl)-3-prop-2-enylurea (CID 174433469) is hydron;1-(2-methylpropyl)-3-prop-2-enylurea.
What is the SMILES notation for hydron;1-(2-methylpropyl)-3-prop-2-enylurea?
The canonical SMILES for hydron;1-(2-methylpropyl)-3-prop-2-enylurea is C=CCNC(=O)NCC(C)C.[H+].
What is the InChIKey of hydron;1-(2-methylpropyl)-3-prop-2-enylurea?
The InChIKey is QEWHEEPNRMOMLV-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H16N2O/c1-4-5-9-8(11)10-6-7(2)3/h4,7H,1,5-6H2,2-3H3,(H2,9,10,11)/p+1.
What are the key properties of hydron;1-(2-methylpropyl)-3-prop-2-enylurea?
hydron;1-(2-methylpropyl)-3-prop-2-enylurea has a molecular weight of 157.24 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;1-(2-methylpropyl)-3-prop-2-enylurea is sourced from PubChem (CID 174433469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).