9-[(4-fluorophenyl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.6]undecan-2-one

C19H25FN2O — CID 134076658

IUPAC9-[(4-fluorophenyl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.6]undecan-2-one
SMILESC=CCN1C(=O)CCC12CCCN(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C19H25FN2O/c1-2-12-22-18(23)8-10-19(22)9-3-13-21(14-11-19)15-16-4-6-17(20)7-5-16/h2,4-7H,1,3,8-15H2
InChIKeyYXBALKQIGZACNZ-UHFFFAOYSA-N
MW316.42 g/mol
LogP3.36
Rot. Bonds4

About 9-[(4-fluorophenyl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.6]undecan-2-one

9-[(4-fluorophenyl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.6]undecan-2-one (PubChem CID 134076658) has the molecular formula C19H25FN2O and a molecular weight of 316.42 g/mol. Its IUPAC name is 9-[(4-fluorophenyl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name9-[(4-fluorophenyl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.6]undecan-2-one
PubChem CID134076658
Molecular FormulaC19H25FN2O
Molecular Weight316.42 g/mol
Exact Mass316.20
IUPAC Name9-[(4-fluorophenyl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.6]undecan-2-one
SMILESC=CCN1C(=O)CCC12CCCN(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C19H25FN2O/c1-2-12-22-18(23)8-10-19(22)9-3-13-21(14-11-19)15-16-4-6-17(20)7-5-16/h2,4-7H,1,3,8-15H2
InChIKeyYXBALKQIGZACNZ-UHFFFAOYSA-N
XLogP3.36
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5R)-1-ethyl-9-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 97370894
9-(cyclopropylmethyl)-1-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681092
1-[(4-fluorophenyl)methyl]-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131681081
1-[(4-fluorophenyl)methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131682828
8-[(5-methylthiophen-2-yl)methyl]-1-prop-2-enyl-1,8-diazaspiro[4.5]decan-2-one
CID 97493760
9-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681147
9-[(4-fluorophenyl)methyl]-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one
CID 131650323
1-[(4-fluorophenyl)methyl]-9-[(3-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one;formic acid
CID 155864802
1-[(3-fluorophenyl)methyl]-9-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131663162
1-(cyclohexylmethyl)-9-[(4-methoxyphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681505
9-[(3-fluorophenyl)methyl]-1-methyl-1,9-diazaspiro[4.6]undecan-2-one
CID 131682811
9-[(1-methylimidazol-2-yl)methyl]-1-prop-2-enyl-1,9-diazaspiro[5.5]undecan-2-one
CID 97385560

Frequently Asked Questions

What is the IUPAC name of 9-[(4-fluorophenyl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of 9-[(4-fluorophenyl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.6]undecan-2-one (CID 134076658) is 9-[(4-fluorophenyl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for 9-[(4-fluorophenyl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for 9-[(4-fluorophenyl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.6]undecan-2-one is C=CCN1C(=O)CCC12CCCN(Cc1ccc(F)cc1)CC2.
What is the InChIKey of 9-[(4-fluorophenyl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is YXBALKQIGZACNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O/c1-2-12-22-18(23)8-10-19(22)9-3-13-21(14-11-19)15-16-4-6-17(20)7-5-16/h2,4-7H,1,3,8-15H2.
What are the key properties of 9-[(4-fluorophenyl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.6]undecan-2-one?
9-[(4-fluorophenyl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 316.42 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-fluorophenyl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 134076658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).