(5S)-N-methyl-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

C11H19N3O2 — CID 97449276

IUPAC(5S)-N-methyl-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
SMILESCC(C)N(C)C(=O)C1=NO[C@@]2(CCNC2)C1
InChIInChI=1S/C11H19N3O2/c1-8(2)14(3)10(15)9-6-11(16-13-9)4-5-12-7-11/h8,12H,4-7H2,1-3H3/t11-/m0/s1
InChIKeyRCNVXLHNLWSUQS-NSHDSACASA-N
MW225.29 g/mol
LogP0.36
Rot. Bonds2

About (5S)-N-methyl-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

(5S)-N-methyl-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (PubChem CID 97449276) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is (5S)-N-methyl-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

Molecular Properties

Compound Name(5S)-N-methyl-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
PubChem CID97449276
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name(5S)-N-methyl-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
SMILESCC(C)N(C)C(=O)C1=NO[C@@]2(CCNC2)C1
InChIInChI=1S/C11H19N3O2/c1-8(2)14(3)10(15)9-6-11(16-13-9)4-5-12-7-11/h8,12H,4-7H2,1-3H3/t11-/m0/s1
InChIKeyRCNVXLHNLWSUQS-NSHDSACASA-N
XLogP0.36
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-methyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 138039499
3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene
CID 91362662
(5S)-N-(cyclopropylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97408003
1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 90755002
N-cyclobutyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 134069854
1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 86633507
N-methyl-7-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 131653729
(5R)-7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-methyl-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491304
(5R)-N-methyl-N-propan-2-yl-7-thiophen-2-ylsulfonyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491293
(5R)-7-(3-fluorophenyl)-N-methyl-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97396168
methyl 1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylate;hydrochloride
CID 75412059
1-oxa-2,9-diazaspiro[4.5]dec-2-en-3-yl(pyrrolidin-1-yl)methanone;hydrochloride
CID 138039492

Frequently Asked Questions

What is the IUPAC name of (5S)-N-methyl-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The IUPAC name of (5S)-N-methyl-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (CID 97449276) is (5S)-N-methyl-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.
What is the SMILES notation for (5S)-N-methyl-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The canonical SMILES for (5S)-N-methyl-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is CC(C)N(C)C(=O)C1=NO[C@@]2(CCNC2)C1.
What is the InChIKey of (5S)-N-methyl-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The InChIKey is RCNVXLHNLWSUQS-NSHDSACASA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(2)14(3)10(15)9-6-11(16-13-9)4-5-12-7-11/h8,12H,4-7H2,1-3H3/t11-/m0/s1.
What are the key properties of (5S)-N-methyl-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
(5S)-N-methyl-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide has a molecular weight of 225.29 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-methyl-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is sourced from PubChem (CID 97449276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).