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

C11H17N3O2 — CID 97408003

IUPAC(5S)-N-(cyclopropylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
SMILESO=C(NCC1CC1)C1=NO[C@@]2(CCNC2)C1
InChIInChI=1S/C11H17N3O2/c15-10(13-6-8-1-2-8)9-5-11(16-14-9)3-4-12-7-11/h8,12H,1-7H2,(H,13,15)/t11-/m0/s1
InChIKeyLUPJAOLVZINKEI-NSHDSACASA-N
MW223.28 g/mol
LogP0.02
Rot. Bonds3

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

(5S)-N-(cyclopropylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (PubChem CID 97408003) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is (5S)-N-(cyclopropylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

Molecular Properties

Compound Name(5S)-N-(cyclopropylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
PubChem CID97408003
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name(5S)-N-(cyclopropylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
SMILESO=C(NCC1CC1)C1=NO[C@@]2(CCNC2)C1
InChIInChI=1S/C11H17N3O2/c15-10(13-6-8-1-2-8)9-5-11(16-14-9)3-4-12-7-11/h8,12H,1-7H2,(H,13,15)/t11-/m0/s1
InChIKeyLUPJAOLVZINKEI-NSHDSACASA-N
XLogP0.02
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-N-(cyclopropylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The IUPAC name of (5S)-N-(cyclopropylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (CID 97408003) is (5S)-N-(cyclopropylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.
What is the SMILES notation for (5S)-N-(cyclopropylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The canonical SMILES for (5S)-N-(cyclopropylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is O=C(NCC1CC1)C1=NO[C@@]2(CCNC2)C1.
What is the InChIKey of (5S)-N-(cyclopropylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The InChIKey is LUPJAOLVZINKEI-NSHDSACASA-N. The full InChI is InChI=1S/C11H17N3O2/c15-10(13-6-8-1-2-8)9-5-11(16-14-9)3-4-12-7-11/h8,12H,1-7H2,(H,13,15)/t11-/m0/s1.
What are the key properties of (5S)-N-(cyclopropylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
(5S)-N-(cyclopropylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-(cyclopropylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is sourced from PubChem (CID 97408003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).