CID 102280621

C7H12NO — CID 102280621

IUPAC—
SMILESC/[C]=C(\O)N1CCCC1
InChIInChI=1S/C7H12NO/c1-2-7(9)8-5-3-4-6-8/h9H,3-6H2,1H3
InChIKeyYUCBKKJSNLUQNH-UHFFFAOYSA-N
MW126.18 g/mol
LogP1.30
Rot. Bonds1

About CID 102280621

CID 102280621 (PubChem CID 102280621) has the molecular formula C7H12NO and a molecular weight of 126.18 g/mol.

Molecular Properties

Compound NameCID 102280621
PubChem CID102280621
Molecular FormulaC7H12NO
Molecular Weight126.18 g/mol
Exact Mass126.09
IUPAC Name—
SMILESC/[C]=C(\O)N1CCCC1
InChIInChI=1S/C7H12NO/c1-2-7(9)8-5-3-4-6-8/h9H,3-6H2,1H3
InChIKeyYUCBKKJSNLUQNH-UHFFFAOYSA-N
XLogP1.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.18
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-Pyrrolidin-1-ylethenol
CID 174587318
(Z)-1-pyrrolidin-1-ylprop-1-en-1-ol
CID 12619518
(Z)-1-pyrrolidin-1-ylprop-1-en-1-olate
CID 21582124
(Z)-1-pyrrolidin-1-ylprop-1-en-2-ol
CID 45085255
1-Propen-2-OL, 1-(1-pyrrolidinyl)-
CID 71434983
CID 102280620
CID 102280620
(E)-1-pyrrolidin-1-ylprop-1-en-1-ol
CID 135050280

Frequently Asked Questions

What is the IUPAC name of CID 102280621?
The IUPAC name of CID 102280621 (CID 102280621) is not available.
What is the SMILES notation for CID 102280621?
The canonical SMILES for CID 102280621 is C/[C]=C(\O)N1CCCC1.
What is the InChIKey of CID 102280621?
The InChIKey is YUCBKKJSNLUQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12NO/c1-2-7(9)8-5-3-4-6-8/h9H,3-6H2,1H3.
What are the key properties of CID 102280621?
CID 102280621 has a molecular weight of 126.18 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102280621 is sourced from PubChem (CID 102280621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).