N-methyl-3-prop-2-enoyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide

C12H19N3O3 — CID 166144007

IUPACN-methyl-3-prop-2-enoyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
SMILESC=CC(=O)N1COC2(CCN(C(=O)NC)CC2)C1
InChIInChI=1S/C12H19N3O3/c1-3-10(16)15-8-12(18-9-15)4-6-14(7-5-12)11(17)13-2/h3H,1,4-9H2,2H3,(H,13,17)
InChIKeyUAGLGHCENBAPJJ-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.16
Rot. Bonds1

About N-methyl-3-prop-2-enoyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide

N-methyl-3-prop-2-enoyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 166144007) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-methyl-3-prop-2-enoyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-methyl-3-prop-2-enoyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID166144007
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN-methyl-3-prop-2-enoyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
SMILESC=CC(=O)N1COC2(CCN(C(=O)NC)CC2)C1
InChIInChI=1S/C12H19N3O3/c1-3-10(16)15-8-12(18-9-15)4-6-14(7-5-12)11(17)13-2/h3H,1,4-9H2,2H3,(H,13,17)
InChIKeyUAGLGHCENBAPJJ-UHFFFAOYSA-N
XLogP0.16
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-prop-2-enoyl-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxylate
CID 166115550
methyl (2S)-3-methyl-2-[methyl-[(5R)-3-prop-2-enoyl-1-oxa-3,7-diazaspiro[4.4]nonane-7-carbonyl]amino]butanoate
CID 166115516
methyl (2S)-3-methyl-2-[methyl-(3-prop-2-enoyl-1-oxa-3,7-diazaspiro[4.4]nonane-7-carbonyl)amino]butanoate
CID 166115687
methyl 3-methyl-2-[methyl-(7-prop-2-enoyl-5-oxa-2,7-diazaspiro[3.4]octane-2-carbonyl)amino]but-2-enoate
CID 166144391
(2S)-3-methyl-2-[methyl-(4-prop-2-enoyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)amino]butanoic acid
CID 166115821
8-prop-2-enoyl-1-oxa-8-azaspiro[4.5]decan-3-one
CID 154587219
4-tert-butyl-N-methylpiperazine-1-carboxamide
CID 59788280
1-[(3S)-3-amino-3-methylpiperidin-1-yl]prop-2-en-1-one
CID 144855598
1-(2,6-diazaspiro[3.4]octan-6-yl)prop-2-en-1-one;ethane
CID 176701757
2-(2-methoxyprop-2-enoyl)-N-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 170011341
N-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 118739092
3,3-diethyl-N-methylpyrrolidine-1-carboxamide
CID 115686572

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-prop-2-enoyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-methyl-3-prop-2-enoyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide (CID 166144007) is N-methyl-3-prop-2-enoyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-methyl-3-prop-2-enoyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-methyl-3-prop-2-enoyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide is C=CC(=O)N1COC2(CCN(C(=O)NC)CC2)C1.
What is the InChIKey of N-methyl-3-prop-2-enoyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is UAGLGHCENBAPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-3-10(16)15-8-12(18-9-15)4-6-14(7-5-12)11(17)13-2/h3H,1,4-9H2,2H3,(H,13,17).
What are the key properties of N-methyl-3-prop-2-enoyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide?
N-methyl-3-prop-2-enoyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 253.30 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-prop-2-enoyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 166144007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).