3-(cyclohex-2-en-1-ylamino)-2-hydroxypropanamide

C9H16N2O2 — CID 106174834

IUPAC3-(cyclohex-2-en-1-ylamino)-2-hydroxypropanamide
SMILESNC(=O)C(O)CNC1C=CCCC1
InChIInChI=1S/C9H16N2O2/c10-9(13)8(12)6-11-7-4-2-1-3-5-7/h2,4,7-8,11-12H,1,3,5-6H2,(H2,10,13)
InChIKeyYTOSOSCUBGOLHE-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.47
Rot. Bonds4

About 3-(cyclohex-2-en-1-ylamino)-2-hydroxypropanamide

3-(cyclohex-2-en-1-ylamino)-2-hydroxypropanamide (PubChem CID 106174834) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-(cyclohex-2-en-1-ylamino)-2-hydroxypropanamide.

Molecular Properties

Compound Name3-(cyclohex-2-en-1-ylamino)-2-hydroxypropanamide
PubChem CID106174834
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3-(cyclohex-2-en-1-ylamino)-2-hydroxypropanamide
SMILESNC(=O)C(O)CNC1C=CCCC1
InChIInChI=1S/C9H16N2O2/c10-9(13)8(12)6-11-7-4-2-1-3-5-7/h2,4,7-8,11-12H,1,3,5-6H2,(H2,10,13)
InChIKeyYTOSOSCUBGOLHE-UHFFFAOYSA-N
XLogP-0.47
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Palustrine
CID 442867
17-(1-Hydroxypropyl)-1,5,10-triazabicyclo[11.4.0]heptadec-14-en-11-one
CID 4485538
(13S)-17-[(1S)-1-hydroxypropyl]-1,5,10-triazabicyclo[11.4.0]heptadec-14-en-11-one
CID 3082205
(13S,17S)-17-[(1S)-1-hydroxypropyl]-1,6,10-triazabicyclo[11.4.0]heptadec-14-en-11-one
CID 162905308
(13S,17R)-17-[(1R)-1-hydroxypropyl]-1,6,10-triazabicyclo[11.4.0]heptadec-14-en-11-one
CID 162905309
2-[(6S)-2-[(1S)-1-hydroxypropyl]-1,2,3,6-tetrahydropyridin-6-yl]-N-[4-(propylamino)butyl]acetamide
CID 138750541
(13R,17R)-17-[(1R)-1-hydroxypropyl]-1,5,10-triazabicyclo[11.4.0]heptadec-14-en-11-one
CID 102070270
(13S,17R)-17-(1-hydroxypropyl)-1,6,10-triazabicyclo[11.4.0]heptadec-14-en-11-one
CID 102193140
(13S,17R)-17-[(1S)-1-hydroxypropyl]-1,6,10-triazabicyclo[11.4.0]heptadec-14-en-11-one
CID 102220587
(13S,17S)-17-[(1R)-1-hydroxypropyl]-1,6,10-triazabicyclo[11.4.0]heptadec-14-en-11-one
CID 102220588
3-(Hex-5-en-2-ylamino)-2-hydroxypropanamide
CID 106170339
3-(Cyclohex-3-en-1-ylmethylamino)-2-hydroxypropanamide
CID 106171137

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohex-2-en-1-ylamino)-2-hydroxypropanamide?
The IUPAC name of 3-(cyclohex-2-en-1-ylamino)-2-hydroxypropanamide (CID 106174834) is 3-(cyclohex-2-en-1-ylamino)-2-hydroxypropanamide.
What is the SMILES notation for 3-(cyclohex-2-en-1-ylamino)-2-hydroxypropanamide?
The canonical SMILES for 3-(cyclohex-2-en-1-ylamino)-2-hydroxypropanamide is NC(=O)C(O)CNC1C=CCCC1.
What is the InChIKey of 3-(cyclohex-2-en-1-ylamino)-2-hydroxypropanamide?
The InChIKey is YTOSOSCUBGOLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c10-9(13)8(12)6-11-7-4-2-1-3-5-7/h2,4,7-8,11-12H,1,3,5-6H2,(H2,10,13).
What are the key properties of 3-(cyclohex-2-en-1-ylamino)-2-hydroxypropanamide?
3-(cyclohex-2-en-1-ylamino)-2-hydroxypropanamide has a molecular weight of 184.24 g/mol, XLogP of -0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohex-2-en-1-ylamino)-2-hydroxypropanamide is sourced from PubChem (CID 106174834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).