(6S)-N-[(ethenylamino)methyl]-5-azaspiro[2.4]heptane-6-carboxamide

C10H17N3O — CID 134474781

IUPAC(6S)-N-[(ethenylamino)methyl]-5-azaspiro[2.4]heptane-6-carboxamide
SMILESC=CNCNC(=O)[C@@H]1CC2(CC2)CN1
InChIInChI=1S/C10H17N3O/c1-2-11-7-13-9(14)8-5-10(3-4-10)6-12-8/h2,8,11-12H,1,3-7H2,(H,13,14)/t8-/m0/s1
InChIKeyACHNVYNODZYOIX-QMMMGPOBSA-N
MW195.27 g/mol
LogP-0.06
Rot. Bonds4

About (6S)-N-[(ethenylamino)methyl]-5-azaspiro[2.4]heptane-6-carboxamide

(6S)-N-[(ethenylamino)methyl]-5-azaspiro[2.4]heptane-6-carboxamide (PubChem CID 134474781) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is (6S)-N-[(ethenylamino)methyl]-5-azaspiro[2.4]heptane-6-carboxamide.

Molecular Properties

Compound Name(6S)-N-[(ethenylamino)methyl]-5-azaspiro[2.4]heptane-6-carboxamide
PubChem CID134474781
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name(6S)-N-[(ethenylamino)methyl]-5-azaspiro[2.4]heptane-6-carboxamide
SMILESC=CNCNC(=O)[C@@H]1CC2(CC2)CN1
InChIInChI=1S/C10H17N3O/c1-2-11-7-13-9(14)8-5-10(3-4-10)6-12-8/h2,8,11-12H,1,3-7H2,(H,13,14)/t8-/m0/s1
InChIKeyACHNVYNODZYOIX-QMMMGPOBSA-N
XLogP-0.06
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(6R)-N-propyl-5-azaspiro[2.4]heptane-6-carboxamide
CID 129450977
methyl 5-azaspiro[2.4]heptane-6-carboxylate
CID 77471720
N-[(3-chloro-2-fluorophenyl)methyl]-5-azaspiro[2.4]heptane-6-carboxamide
CID 166772330
1-(2-azaspiro[4.4]nonan-3-yl)ethanone
CID 20647146
(3R)-N-[2-[(4-fluorobenzoyl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95724857
2,6-diazaspiro[3.4]octane-7-carboxylic acid
CID 165458055
N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-5-azaspiro[2.4]heptane-6-carboxamide
CID 175928487
N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56911145
ethyl 2-azaspiro[4.4]nonane-3-carboxylate
CID 22154621
N-[(3-methyl-1-benzofuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride
CID 154895193
(3S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95727726
(3R)-N-[(2,4-dichloro-6-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95727267

Frequently Asked Questions

What is the IUPAC name of (6S)-N-[(ethenylamino)methyl]-5-azaspiro[2.4]heptane-6-carboxamide?
The IUPAC name of (6S)-N-[(ethenylamino)methyl]-5-azaspiro[2.4]heptane-6-carboxamide (CID 134474781) is (6S)-N-[(ethenylamino)methyl]-5-azaspiro[2.4]heptane-6-carboxamide.
What is the SMILES notation for (6S)-N-[(ethenylamino)methyl]-5-azaspiro[2.4]heptane-6-carboxamide?
The canonical SMILES for (6S)-N-[(ethenylamino)methyl]-5-azaspiro[2.4]heptane-6-carboxamide is C=CNCNC(=O)[C@@H]1CC2(CC2)CN1.
What is the InChIKey of (6S)-N-[(ethenylamino)methyl]-5-azaspiro[2.4]heptane-6-carboxamide?
The InChIKey is ACHNVYNODZYOIX-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17N3O/c1-2-11-7-13-9(14)8-5-10(3-4-10)6-12-8/h2,8,11-12H,1,3-7H2,(H,13,14)/t8-/m0/s1.
What are the key properties of (6S)-N-[(ethenylamino)methyl]-5-azaspiro[2.4]heptane-6-carboxamide?
(6S)-N-[(ethenylamino)methyl]-5-azaspiro[2.4]heptane-6-carboxamide has a molecular weight of 195.27 g/mol, XLogP of -0.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-[(ethenylamino)methyl]-5-azaspiro[2.4]heptane-6-carboxamide is sourced from PubChem (CID 134474781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).