CID 58998022

C8H11NO — CID 58998022

IUPAC—
SMILES[CH]C#CCN1CCOCC1
InChIInChI=1S/C8H11NO/c1-2-3-4-9-5-7-10-8-6-9/h1H,4-8H2
InChIKeySLYAJOLUYJXYAP-UHFFFAOYSA-N
MW137.18 g/mol
LogP0.03
Rot. Bonds1

About CID 58998022

CID 58998022 (PubChem CID 58998022) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol.

Molecular Properties

Compound NameCID 58998022
PubChem CID58998022
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name—
SMILES[CH]C#CCN1CCOCC1
InChIInChI=1S/C8H11NO/c1-2-3-4-9-5-7-10-8-6-9/h1H,4-8H2
InChIKeySLYAJOLUYJXYAP-UHFFFAOYSA-N
XLogP0.03
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-prop-2-ynylmorpholine
CID 144709407
4-(3-methylsulfanylprop-2-ynyl)morpholine
CID 153360046
(2R)-6-morpholin-4-ylhex-4-yn-2-ol
CID 7272443
N,N-dimethyl-6-morpholin-4-ylhexa-2,4-diyn-1-amine
CID 91621873
2-methyl-6-morpholin-4-ylhex-4-yn-3-ol
CID 15356979
16-propyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71337150
3,12-bis(prop-2-ynyl)-1,6,9,15-tetraoxa-3,12-diazacyclooctadecane
CID 101268758
4-(morpholin-4-ylmethyl)morpholine
CID 21839
13-(5-phenylpenta-2,4-diynyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102019988
2,3-dimethyl-6-morpholin-4-ylhex-1-en-4-yn-3-ol
CID 2840553
16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 15145347
[(2R)-5-morpholin-4-ylpent-3-yn-2-yl] acetate
CID 847500

Frequently Asked Questions

What is the IUPAC name of CID 58998022?
The IUPAC name of CID 58998022 (CID 58998022) is not available.
What is the SMILES notation for CID 58998022?
The canonical SMILES for CID 58998022 is [CH]C#CCN1CCOCC1.
What is the InChIKey of CID 58998022?
The InChIKey is SLYAJOLUYJXYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-2-3-4-9-5-7-10-8-6-9/h1H,4-8H2.
What are the key properties of CID 58998022?
CID 58998022 has a molecular weight of 137.18 g/mol, XLogP of 0.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58998022 is sourced from PubChem (CID 58998022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).