molecular hydrogen;4-propyl-1,3-dihydroimidazol-2-one

C6H14N2O — CID 143874040

IUPACmolecular hydrogen;4-propyl-1,3-dihydroimidazol-2-one
SMILESCCCc1c[nH]c(=O)[nH]1.[H][H].[H][H]
InChIInChI=1S/C6H10N2O.2H2/c1-2-3-5-4-7-6(9)8-5;;/h4H,2-3H2,1H3,(H2,7,8,9);2*1H
InChIKeyWIMYGWILEOXKQX-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.15
Rot. Bonds2

About molecular hydrogen;4-propyl-1,3-dihydroimidazol-2-one

molecular hydrogen;4-propyl-1,3-dihydroimidazol-2-one (PubChem CID 143874040) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is molecular hydrogen;4-propyl-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Namemolecular hydrogen;4-propyl-1,3-dihydroimidazol-2-one
PubChem CID143874040
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Namemolecular hydrogen;4-propyl-1,3-dihydroimidazol-2-one
SMILESCCCc1c[nH]c(=O)[nH]1.[H][H].[H][H]
InChIInChI=1S/C6H10N2O.2H2/c1-2-3-5-4-7-6(9)8-5;;/h4H,2-3H2,1H3,(H2,7,8,9);2*1H
InChIKeyWIMYGWILEOXKQX-UHFFFAOYSA-N
XLogP1.15
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-dihydro-4-methyl-2H-imidazol-2-one
CID 70935
1,4-dimethyl-2,3-dihydro-1H-imidazol-2-one
CID 22035327
4-ethyl-2,3-dihydro-1H-imidazol-2-one
CID 15567528
4-propyl-1H-imidazol-2(3H)-one
CID 15567529
2-(2-Oxo-4-imidazolin-4-yl)ethylamine
CID 150871
5-butyl-3-propan-2-yl-1H-imidazol-2-one
CID 18384891
1-Butyl-5-methyl-2-imidazolone
CID 26434
1-[(Z)-1-fluorobut-1-en-2-yl]-3-methylurea
CID 167140552
4-(3-Aminopropyl)-1,3-dihydroimidazol-2-one
CID 11458001
4-Hexyl-4-imidazolin-2-one
CID 14572724
4-(2-Fluoropropan-2-yl)-1,3-dihydroimidazol-2-one
CID 84762814
4-Pentyl-1,3-dihydroimidazol-2-one
CID 14572723

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;4-propyl-1,3-dihydroimidazol-2-one?
The IUPAC name of molecular hydrogen;4-propyl-1,3-dihydroimidazol-2-one (CID 143874040) is molecular hydrogen;4-propyl-1,3-dihydroimidazol-2-one.
What is the SMILES notation for molecular hydrogen;4-propyl-1,3-dihydroimidazol-2-one?
The canonical SMILES for molecular hydrogen;4-propyl-1,3-dihydroimidazol-2-one is CCCc1c[nH]c(=O)[nH]1.[H][H].[H][H].
What is the InChIKey of molecular hydrogen;4-propyl-1,3-dihydroimidazol-2-one?
The InChIKey is WIMYGWILEOXKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O.2H2/c1-2-3-5-4-7-6(9)8-5;;/h4H,2-3H2,1H3,(H2,7,8,9);2*1H.
What are the key properties of molecular hydrogen;4-propyl-1,3-dihydroimidazol-2-one?
molecular hydrogen;4-propyl-1,3-dihydroimidazol-2-one has a molecular weight of 130.19 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;4-propyl-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 143874040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).