N-[(4R,6R)-6-hydroxynon-1-en-4-yl]prop-2-enamide

C12H21NO2 — CID 121012434

IUPACN-[(4R,6R)-6-hydroxynon-1-en-4-yl]prop-2-enamide
SMILESC=CC[C@H](C[C@H](O)CCC)NC(=O)C=C
InChIInChI=1S/C12H21NO2/c1-4-7-10(13-12(15)6-3)9-11(14)8-5-2/h4,6,10-11,14H,1,3,5,7-9H2,2H3,(H,13,15)/t10-,11-/m1/s1
InChIKeyGYKBSOIOVARSNX-GHMZBOCLSA-N
MW211.30 g/mol
LogP1.78
Rot. Bonds8

About N-[(4R,6R)-6-hydroxynon-1-en-4-yl]prop-2-enamide

N-[(4R,6R)-6-hydroxynon-1-en-4-yl]prop-2-enamide (PubChem CID 121012434) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is N-[(4R,6R)-6-hydroxynon-1-en-4-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[(4R,6R)-6-hydroxynon-1-en-4-yl]prop-2-enamide
PubChem CID121012434
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC NameN-[(4R,6R)-6-hydroxynon-1-en-4-yl]prop-2-enamide
SMILESC=CC[C@H](C[C@H](O)CCC)NC(=O)C=C
InChIInChI=1S/C12H21NO2/c1-4-7-10(13-12(15)6-3)9-11(14)8-5-2/h4,6,10-11,14H,1,3,5,7-9H2,2H3,(H,13,15)/t10-,11-/m1/s1
InChIKeyGYKBSOIOVARSNX-GHMZBOCLSA-N
XLogP1.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(4R,6R)-6-hydroxynon-1-en-4-yl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(prop-2-enoylamino)octan-3-yl]prop-2-enamide
CID 89197910
N-tridecan-5-ylprop-2-enamide
CID 141277245
2-(prop-2-enoylamino)pentanoic acid
CID 18798141
N-tetradecan-3-ylprop-2-enamide
CID 54185556
9-(prop-2-enoylamino)octadecanoic acid
CID 88669538
N-(1-diethoxyphosphorylhexan-3-yl)prop-2-enamide
CID 87513594
N-[1-(diethylamino)butyl]prop-2-enamide
CID 139534809
N-[(2S)-1-hydroxy-4-methylpentan-2-yl]prop-2-enamide
CID 101481663
N-(6-aminohexan-3-yl)prop-2-enamide
CID 90258074
trimethyl-[3-(prop-2-enoylamino)pentadecyl]azanium
CID 141026004
2-(prop-2-enoylamino)undecane-1-sulfonic acid
CID 156701088
N-(1,2-dihydroxybutyl)prop-2-enamide
CID 174879831

Frequently Asked Questions

What is the IUPAC name of N-[(4R,6R)-6-hydroxynon-1-en-4-yl]prop-2-enamide?
The IUPAC name of N-[(4R,6R)-6-hydroxynon-1-en-4-yl]prop-2-enamide (CID 121012434) is N-[(4R,6R)-6-hydroxynon-1-en-4-yl]prop-2-enamide.
What is the SMILES notation for N-[(4R,6R)-6-hydroxynon-1-en-4-yl]prop-2-enamide?
The canonical SMILES for N-[(4R,6R)-6-hydroxynon-1-en-4-yl]prop-2-enamide is C=CC[C@H](C[C@H](O)CCC)NC(=O)C=C.
What is the InChIKey of N-[(4R,6R)-6-hydroxynon-1-en-4-yl]prop-2-enamide?
The InChIKey is GYKBSOIOVARSNX-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H21NO2/c1-4-7-10(13-12(15)6-3)9-11(14)8-5-2/h4,6,10-11,14H,1,3,5,7-9H2,2H3,(H,13,15)/t10-,11-/m1/s1.
What are the key properties of N-[(4R,6R)-6-hydroxynon-1-en-4-yl]prop-2-enamide?
N-[(4R,6R)-6-hydroxynon-1-en-4-yl]prop-2-enamide has a molecular weight of 211.30 g/mol, XLogP of 1.78, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R,6R)-6-hydroxynon-1-en-4-yl]prop-2-enamide is sourced from PubChem (CID 121012434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).