N-(4-hydroxyoct-1-enyl)formamide

C9H17NO2 — CID 57251657

IUPACN-(4-hydroxyoct-1-enyl)formamide
SMILESCCCCC(O)CC=CNC=O
InChIInChI=1S/C9H17NO2/c1-2-3-5-9(12)6-4-7-10-8-11/h4,7-9,12H,2-3,5-6H2,1H3,(H,10,11)
InChIKeyZUVPRTXRIKAVEP-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.19
Rot. Bonds7

About N-(4-hydroxyoct-1-enyl)formamide

N-(4-hydroxyoct-1-enyl)formamide (PubChem CID 57251657) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-(4-hydroxyoct-1-enyl)formamide.

Molecular Properties

Compound NameN-(4-hydroxyoct-1-enyl)formamide
PubChem CID57251657
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-(4-hydroxyoct-1-enyl)formamide
SMILESCCCCC(O)CC=CNC=O
InChIInChI=1S/C9H17NO2/c1-2-3-5-9(12)6-4-7-10-8-11/h4,7-9,12H,2-3,5-6H2,1H3,(H,10,11)
InChIKeyZUVPRTXRIKAVEP-UHFFFAOYSA-N
XLogP1.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-hydroxyheptanal
CID 15258469
2-(fluoromethyl)-5-hydroxynonanal
CID 134300098
(7Z)-hexadeca-7,11-dien-5-ol
CID 87164825
(E)-heptadec-7-en-5-ol
CID 122442571
3-hydroxyheptadecanal
CID 15268158
N-[(E)-oct-1-enyl]formamide
CID 87382221
(E)-5-hydroxy-2-methylnon-2-enal
CID 87291265
(5R,7S)-undecane-5,7-diol
CID 10899409
(Z)-tridec-2-en-5-ol
CID 11564658
(E)-octadec-1-ene-1,4-diol
CID 87483971
(E,5S)-tridec-2-en-5-ol
CID 87621618
(Z)-tridec-8-en-6-ol
CID 170849340

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyoct-1-enyl)formamide?
The IUPAC name of N-(4-hydroxyoct-1-enyl)formamide (CID 57251657) is N-(4-hydroxyoct-1-enyl)formamide.
What is the SMILES notation for N-(4-hydroxyoct-1-enyl)formamide?
The canonical SMILES for N-(4-hydroxyoct-1-enyl)formamide is CCCCC(O)CC=CNC=O.
What is the InChIKey of N-(4-hydroxyoct-1-enyl)formamide?
The InChIKey is ZUVPRTXRIKAVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-3-5-9(12)6-4-7-10-8-11/h4,7-9,12H,2-3,5-6H2,1H3,(H,10,11).
What are the key properties of N-(4-hydroxyoct-1-enyl)formamide?
N-(4-hydroxyoct-1-enyl)formamide has a molecular weight of 171.24 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyoct-1-enyl)formamide is sourced from PubChem (CID 57251657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).