molecular hydrogen;N-propylprop-2-enamide

C6H13NO — CID 153372503

IUPACmolecular hydrogen;N-propylprop-2-enamide
SMILESC=CC(=O)NCCC.[H][H]
InChIInChI=1S/C6H11NO.H2/c1-3-5-7-6(8)4-2;/h4H,2-3,5H2,1H3,(H,7,8);1H
InChIKeyNQDUPIZWWAKECY-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.94
Rot. Bonds3

About molecular hydrogen;N-propylprop-2-enamide

molecular hydrogen;N-propylprop-2-enamide (PubChem CID 153372503) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is molecular hydrogen;N-propylprop-2-enamide.

Molecular Properties

Compound Namemolecular hydrogen;N-propylprop-2-enamide
PubChem CID153372503
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Namemolecular hydrogen;N-propylprop-2-enamide
SMILESC=CC(=O)NCCC.[H][H]
InChIInChI=1S/C6H11NO.H2/c1-3-5-7-6(8)4-2;/h4H,2-3,5H2,1H3,(H,7,8);1H
InChIKeyNQDUPIZWWAKECY-UHFFFAOYSA-N
XLogP0.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethylmethanamine;N-propylprop-2-enamide;hydrochloride
CID 173003472
N-butylbutan-1-amine;N-propylprop-2-enamide
CID 22596638
N-butylprop-2-enamide;hydrofluoride
CID 174533496
N-[4-(propylamino)butyl]prop-2-enamide
CID 87503940
N-heptadecylprop-2-enamide
CID 20727742
N-[2-(dimethylamino)ethyl]prop-2-enamide;molecular hydrogen
CID 176682975
bis(N,N-dimethyldodecan-1-amine);N-propylprop-2-enamide;hydroiodide
CID 173363962
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
carbonic acid;N-hexylprop-2-enamide
CID 22445987
N-butylprop-2-enamide;N-ethylethanamine
CID 22596658
molecular hydrogen;N-(3-oxobutyl)prop-2-enamide;prop-1-ene
CID 143781918
methyl-[2-(prop-2-enoylamino)ethyl]phosphinic acid
CID 167585603

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;N-propylprop-2-enamide?
The IUPAC name of molecular hydrogen;N-propylprop-2-enamide (CID 153372503) is molecular hydrogen;N-propylprop-2-enamide.
What is the SMILES notation for molecular hydrogen;N-propylprop-2-enamide?
The canonical SMILES for molecular hydrogen;N-propylprop-2-enamide is C=CC(=O)NCCC.[H][H].
What is the InChIKey of molecular hydrogen;N-propylprop-2-enamide?
The InChIKey is NQDUPIZWWAKECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.H2/c1-3-5-7-6(8)4-2;/h4H,2-3,5H2,1H3,(H,7,8);1H.
What are the key properties of molecular hydrogen;N-propylprop-2-enamide?
molecular hydrogen;N-propylprop-2-enamide has a molecular weight of 115.18 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;N-propylprop-2-enamide is sourced from PubChem (CID 153372503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).