N-(4-hydroxyhexan-3-yl)prop-2-enamide

C9H17NO2 — CID 176975317

IUPACN-(4-hydroxyhexan-3-yl)prop-2-enamide
SMILESC=CC(=O)NC(CC)C(O)CC
InChIInChI=1S/C9H17NO2/c1-4-7(8(11)5-2)10-9(12)6-3/h6-8,11H,3-5H2,1-2H3,(H,10,12)
InChIKeyJCFZBALTKNISIV-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.84
Rot. Bonds5

About N-(4-hydroxyhexan-3-yl)prop-2-enamide

N-(4-hydroxyhexan-3-yl)prop-2-enamide (PubChem CID 176975317) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-(4-hydroxyhexan-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-hydroxyhexan-3-yl)prop-2-enamide
PubChem CID176975317
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-(4-hydroxyhexan-3-yl)prop-2-enamide
SMILESC=CC(=O)NC(CC)C(O)CC
InChIInChI=1S/C9H17NO2/c1-4-7(8(11)5-2)10-9(12)6-3/h6-8,11H,3-5H2,1-2H3,(H,10,12)
InChIKeyJCFZBALTKNISIV-UHFFFAOYSA-N
XLogP0.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1,2-dihydroxybutyl)prop-2-enamide
CID 174879831
N-[2-(dimethylamino)pentan-3-yl]prop-2-enamide
CID 87997510
N-[(1S)-1-hydroxyethyl]prop-2-enamide
CID 59985905
N-[ethoxy(hydroxy)methyl]prop-2-enamide
CID 54426891
N-[(2S)-1,2-dihydroxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 129044406
N'-(1-hydroxypropyl)prop-2-enehydrazide
CID 140549480
N-[4-(2-aminopropan-2-yl)decan-3-yl]prop-2-enamide;hydroiodide
CID 173323474
ethyl 2-hydroxy-2-(prop-2-enoylamino)acetate;methoxymethane
CID 18997976
trimethyl-[2-(prop-2-enoylamino)pentan-3-yl]azanium
CID 19348922
N-[5-(prop-2-enoylamino)octan-3-yl]prop-2-enamide
CID 89197910
diethyl-methyl-[1-(prop-2-enoylamino)propyl]azanium chloride
CID 87985371
sodium N-propan-2-ylprop-2-enamide
CID 19004870

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyhexan-3-yl)prop-2-enamide?
The IUPAC name of N-(4-hydroxyhexan-3-yl)prop-2-enamide (CID 176975317) is N-(4-hydroxyhexan-3-yl)prop-2-enamide.
What is the SMILES notation for N-(4-hydroxyhexan-3-yl)prop-2-enamide?
The canonical SMILES for N-(4-hydroxyhexan-3-yl)prop-2-enamide is C=CC(=O)NC(CC)C(O)CC.
What is the InChIKey of N-(4-hydroxyhexan-3-yl)prop-2-enamide?
The InChIKey is JCFZBALTKNISIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-7(8(11)5-2)10-9(12)6-3/h6-8,11H,3-5H2,1-2H3,(H,10,12).
What are the key properties of N-(4-hydroxyhexan-3-yl)prop-2-enamide?
N-(4-hydroxyhexan-3-yl)prop-2-enamide has a molecular weight of 171.24 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyhexan-3-yl)prop-2-enamide is sourced from PubChem (CID 176975317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).