molecular hydrogen;N-(3-oxopentyl)propanamide

C8H17NO2 — CID 142546391

IUPACmolecular hydrogen;N-(3-oxopentyl)propanamide
SMILESCCC(=O)CCNC(=O)CC.[H][H]
InChIInChI=1S/C8H15NO2.H2/c1-3-7(10)5-6-9-8(11)4-2;/h3-6H2,1-2H3,(H,9,11);1H
InChIKeyVLOLEBLZWOEFSJ-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.13
Rot. Bonds5

About molecular hydrogen;N-(3-oxopentyl)propanamide

molecular hydrogen;N-(3-oxopentyl)propanamide (PubChem CID 142546391) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is molecular hydrogen;N-(3-oxopentyl)propanamide.

Molecular Properties

Compound Namemolecular hydrogen;N-(3-oxopentyl)propanamide
PubChem CID142546391
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Namemolecular hydrogen;N-(3-oxopentyl)propanamide
SMILESCCC(=O)CCNC(=O)CC.[H][H]
InChIInChI=1S/C8H15NO2.H2/c1-3-7(10)5-6-9-8(11)4-2;/h3-6H2,1-2H3,(H,9,11);1H
InChIKeyVLOLEBLZWOEFSJ-UHFFFAOYSA-N
XLogP1.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-oxopentylurea
CID 19425945
N-[3-[[3-(ethylamino)-3-oxopropyl]amino]-3-oxopropyl]-4-oxohexanamide
CID 178008548
N-(3-methylbut-3-enyl)propanamide
CID 89197899
N-(3-amino-3-sulfanylidenepropyl)propanamide
CID 62665728
1-S-(4-oxohexyl) 4-S-[2-(propanoylamino)ethyl] butanebis(thioate)
CID 158208620
ethane;N-(2-methoxyethyl)propanamide;molecular hydrogen
CID 145484894
molecular hydrogen;4-oxo-N-(2-propan-2-yloxyethyl)hexanamide
CID 167491249
N-(2-phosphanylethyl)propanamide
CID 146644677
2-methyl-1-(3-oxopentyl)guanidine
CID 142981589
N-[2-(2-oxobutylsulfanyl)ethyl]propanamide
CID 166556003
ethane;10-(propanoylamino)decanoic acid;11-(propanoylamino)undecanoic acid
CID 156732103
molecular hydrogen;N-(2-propoxyethyl)propanamide
CID 170639851

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;N-(3-oxopentyl)propanamide?
The IUPAC name of molecular hydrogen;N-(3-oxopentyl)propanamide (CID 142546391) is molecular hydrogen;N-(3-oxopentyl)propanamide.
What is the SMILES notation for molecular hydrogen;N-(3-oxopentyl)propanamide?
The canonical SMILES for molecular hydrogen;N-(3-oxopentyl)propanamide is CCC(=O)CCNC(=O)CC.[H][H].
What is the InChIKey of molecular hydrogen;N-(3-oxopentyl)propanamide?
The InChIKey is VLOLEBLZWOEFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.H2/c1-3-7(10)5-6-9-8(11)4-2;/h3-6H2,1-2H3,(H,9,11);1H.
What are the key properties of molecular hydrogen;N-(3-oxopentyl)propanamide?
molecular hydrogen;N-(3-oxopentyl)propanamide has a molecular weight of 159.23 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;N-(3-oxopentyl)propanamide is sourced from PubChem (CID 142546391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).