1-methoxy-3-methylimino-2-pyrrolidin-2-ylprop-1-en-1-amine

C9H17N3O — CID 149399926

IUPAC1-methoxy-3-methylimino-2-pyrrolidin-2-ylprop-1-en-1-amine
SMILESC/N=C/C(=C(N)OC)C1CCCN1
InChIInChI=1S/C9H17N3O/c1-11-6-7(9(10)13-2)8-4-3-5-12-8/h6,8,12H,3-5,10H2,1-2H3/b9-7?,11-6+
InChIKeyMLMCTGMJNRZZPG-FZZSYBJKSA-N
MW183.25 g/mol
LogP0.26
Rot. Bonds3

About 1-methoxy-3-methylimino-2-pyrrolidin-2-ylprop-1-en-1-amine

1-methoxy-3-methylimino-2-pyrrolidin-2-ylprop-1-en-1-amine (PubChem CID 149399926) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-methoxy-3-methylimino-2-pyrrolidin-2-ylprop-1-en-1-amine.

Molecular Properties

Compound Name1-methoxy-3-methylimino-2-pyrrolidin-2-ylprop-1-en-1-amine
PubChem CID149399926
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1-methoxy-3-methylimino-2-pyrrolidin-2-ylprop-1-en-1-amine
SMILESC/N=C/C(=C(N)OC)C1CCCN1
InChIInChI=1S/C9H17N3O/c1-11-6-7(9(10)13-2)8-4-3-5-12-8/h6,8,12H,3-5,10H2,1-2H3/b9-7?,11-6+
InChIKeyMLMCTGMJNRZZPG-FZZSYBJKSA-N
XLogP0.26
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethane;methanol;methyl pyrrolidine-2-carboxylate
CID 144894204
2-amino-2-[(2S)-pyrrolidin-2-yl]ethenol
CID 89091294
methyl 2-(pyrrolidine-2-carbonylamino)propanoate;hydrochloride
CID 119291009
chloromethane;(2R)-pyrrolidine-2-carboxamide
CID 143336240
methyl (Z)-3-amino-2-pyrrolidin-2-ylprop-2-enimidate
CID 142358213
methyl pyrrolidine-2-carboxylate;2,2,2-trifluoroacetic acid
CID 161244397
pyrrolidine-2-carboxamide;dihydrobromide
CID 70056458
ethane;2-[(3E)-4-methylhexa-1,3,5-trien-3-yl]pyrrolidine
CID 155692364
(2R)-N-(1,1-dimethoxypropan-2-yl)pyrrolidine-2-carboxamide
CID 104901176
ethyl (2E)-N-hydroxypyrrolidine-2-carboximidate
CID 101141601
N-[(Z)-1-pyrrolidin-2-ylprop-1-enyl]methanimine
CID 142562226
(2S)-pyrrolidine-2-carboxylic acid;urea
CID 11629677

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methylimino-2-pyrrolidin-2-ylprop-1-en-1-amine?
The IUPAC name of 1-methoxy-3-methylimino-2-pyrrolidin-2-ylprop-1-en-1-amine (CID 149399926) is 1-methoxy-3-methylimino-2-pyrrolidin-2-ylprop-1-en-1-amine.
What is the SMILES notation for 1-methoxy-3-methylimino-2-pyrrolidin-2-ylprop-1-en-1-amine?
The canonical SMILES for 1-methoxy-3-methylimino-2-pyrrolidin-2-ylprop-1-en-1-amine is C/N=C/C(=C(N)OC)C1CCCN1.
What is the InChIKey of 1-methoxy-3-methylimino-2-pyrrolidin-2-ylprop-1-en-1-amine?
The InChIKey is MLMCTGMJNRZZPG-FZZSYBJKSA-N. The full InChI is InChI=1S/C9H17N3O/c1-11-6-7(9(10)13-2)8-4-3-5-12-8/h6,8,12H,3-5,10H2,1-2H3/b9-7?,11-6+.
What are the key properties of 1-methoxy-3-methylimino-2-pyrrolidin-2-ylprop-1-en-1-amine?
1-methoxy-3-methylimino-2-pyrrolidin-2-ylprop-1-en-1-amine has a molecular weight of 183.25 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methylimino-2-pyrrolidin-2-ylprop-1-en-1-amine is sourced from PubChem (CID 149399926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).