8-[(5-methylthiophen-2-yl)methyl]-1-prop-2-enyl-1,8-diazaspiro[4.5]decan-2-one

C17H24N2OS — CID 97493760

IUPAC8-[(5-methylthiophen-2-yl)methyl]-1-prop-2-enyl-1,8-diazaspiro[4.5]decan-2-one
SMILESC=CCN1C(=O)CCC12CCN(Cc1ccc(C)s1)CC2
InChIInChI=1S/C17H24N2OS/c1-3-10-19-16(20)6-7-17(19)8-11-18(12-9-17)13-15-5-4-14(2)21-15/h3-5H,1,6-13H2,2H3
InChIKeyMNIGGYMFJWADDS-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.20
Rot. Bonds4

About 8-[(5-methylthiophen-2-yl)methyl]-1-prop-2-enyl-1,8-diazaspiro[4.5]decan-2-one

8-[(5-methylthiophen-2-yl)methyl]-1-prop-2-enyl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97493760) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 8-[(5-methylthiophen-2-yl)methyl]-1-prop-2-enyl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[(5-methylthiophen-2-yl)methyl]-1-prop-2-enyl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97493760
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name8-[(5-methylthiophen-2-yl)methyl]-1-prop-2-enyl-1,8-diazaspiro[4.5]decan-2-one
SMILESC=CCN1C(=O)CCC12CCN(Cc1ccc(C)s1)CC2
InChIInChI=1S/C17H24N2OS/c1-3-10-19-16(20)6-7-17(19)8-11-18(12-9-17)13-15-5-4-14(2)21-15/h3-5H,1,6-13H2,2H3
InChIKeyMNIGGYMFJWADDS-UHFFFAOYSA-N
XLogP3.20
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-[(5-methylthiophen-2-yl)methyl]-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
CID 131646426
9-[(4-fluorophenyl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.6]undecan-2-one
CID 134076658
1-methyl-9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[5.5]undecane
CID 97374456
1-methylsulfonyl-8-[(5-methylthiophen-2-yl)methyl]-1,8-diazaspiro[4.5]decane
CID 97372630
9-[(1-methylimidazol-2-yl)methyl]-1-prop-2-enyl-1,9-diazaspiro[5.5]undecan-2-one
CID 97385560
(3aR,7aR)-1-[(5-methylthiophen-2-yl)methyl]-4-prop-2-enyl-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one
CID 97379252
8-(1-methylpyrazole-4-carbonyl)-1-prop-2-enyl-1,8-diazaspiro[4.5]decan-2-one
CID 97493756
(6S)-4-[(5-methylthiophen-2-yl)methyl]-8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97495057
8-(oxolan-3-yl)-1-prop-2-enyl-1,8-diazaspiro[4.5]decan-2-one
CID 131650721
4-[(5-methylthiophen-2-yl)methyl]piperazine-2,6-dione
CID 63788380
4-(cyclopropylmethyl)-5-methyl-9-[(5-methylthiophen-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 131653812
(3R)-1-[(5-methylthiophen-2-yl)methyl]-3-prop-2-enylpiperidine-3-carboxylic acid
CID 97141674

Frequently Asked Questions

What is the IUPAC name of 8-[(5-methylthiophen-2-yl)methyl]-1-prop-2-enyl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[(5-methylthiophen-2-yl)methyl]-1-prop-2-enyl-1,8-diazaspiro[4.5]decan-2-one (CID 97493760) is 8-[(5-methylthiophen-2-yl)methyl]-1-prop-2-enyl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[(5-methylthiophen-2-yl)methyl]-1-prop-2-enyl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[(5-methylthiophen-2-yl)methyl]-1-prop-2-enyl-1,8-diazaspiro[4.5]decan-2-one is C=CCN1C(=O)CCC12CCN(Cc1ccc(C)s1)CC2.
What is the InChIKey of 8-[(5-methylthiophen-2-yl)methyl]-1-prop-2-enyl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is MNIGGYMFJWADDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-3-10-19-16(20)6-7-17(19)8-11-18(12-9-17)13-15-5-4-14(2)21-15/h3-5H,1,6-13H2,2H3.
What are the key properties of 8-[(5-methylthiophen-2-yl)methyl]-1-prop-2-enyl-1,8-diazaspiro[4.5]decan-2-one?
8-[(5-methylthiophen-2-yl)methyl]-1-prop-2-enyl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 304.46 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-methylthiophen-2-yl)methyl]-1-prop-2-enyl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97493760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).