methyl (Z)-3-amino-2-pyrrolidin-2-ylprop-2-enimidate

C8H15N3O — CID 142358213

IUPACmethyl (Z)-3-amino-2-pyrrolidin-2-ylprop-2-enimidate
SMILES[H]/N=C(OC)/C(=C\N)C1CCCN1
InChIInChI=1S/C8H15N3O/c1-12-8(10)6(5-9)7-3-2-4-11-7/h5,7,10-11H,2-4,9H2,1H3/b6-5-,10-8-
InChIKeyBELMUWAVEMLQIS-XUTLIFGGSA-N
MW169.23 g/mol
LogP0.20
Rot. Bonds2

About methyl (Z)-3-amino-2-pyrrolidin-2-ylprop-2-enimidate

methyl (Z)-3-amino-2-pyrrolidin-2-ylprop-2-enimidate (PubChem CID 142358213) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is methyl (Z)-3-amino-2-pyrrolidin-2-ylprop-2-enimidate.

Molecular Properties

Compound Namemethyl (Z)-3-amino-2-pyrrolidin-2-ylprop-2-enimidate
PubChem CID142358213
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Namemethyl (Z)-3-amino-2-pyrrolidin-2-ylprop-2-enimidate
SMILES[H]/N=C(OC)/C(=C\N)C1CCCN1
InChIInChI=1S/C8H15N3O/c1-12-8(10)6(5-9)7-3-2-4-11-7/h5,7,10-11H,2-4,9H2,1H3/b6-5-,10-8-
InChIKeyBELMUWAVEMLQIS-XUTLIFGGSA-N
XLogP0.20
TPSA71.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethane;methanol;methyl pyrrolidine-2-carboxylate
CID 144894204
1-methoxy-3-methylimino-2-pyrrolidin-2-ylprop-1-en-1-amine
CID 149399926
1-(1-pyrrolidin-2-ylethenylsulfanyl)propan-2-imine
CID 123408001
pyrrolidin-2-yl-[(2R)-pyrrolidin-2-yl]methanone
CID 20598954
ethyl (2E)-N-hydroxypyrrolidine-2-carboximidate
CID 101141601
2-amino-2-[(2S)-pyrrolidin-2-yl]ethenol
CID 89091294
methyl 2-(pyrrolidine-2-carbonylamino)propanoate;hydrochloride
CID 119291009
(2-carbamoylhydrazinyl) (2S)-pyrrolidine-2-carboxylate
CID 57173550
(2S)-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide
CID 82724337
chloromethane;(2R)-pyrrolidine-2-carboxamide
CID 143336240
2-[(E)-pent-2-en-3-yl]pyrrolidine
CID 55299254
2-[carbamimidoyl(methyl)amino]acetic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 130366910

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-amino-2-pyrrolidin-2-ylprop-2-enimidate?
The IUPAC name of methyl (Z)-3-amino-2-pyrrolidin-2-ylprop-2-enimidate (CID 142358213) is methyl (Z)-3-amino-2-pyrrolidin-2-ylprop-2-enimidate.
What is the SMILES notation for methyl (Z)-3-amino-2-pyrrolidin-2-ylprop-2-enimidate?
The canonical SMILES for methyl (Z)-3-amino-2-pyrrolidin-2-ylprop-2-enimidate is [H]/N=C(OC)/C(=C\N)C1CCCN1.
What is the InChIKey of methyl (Z)-3-amino-2-pyrrolidin-2-ylprop-2-enimidate?
The InChIKey is BELMUWAVEMLQIS-XUTLIFGGSA-N. The full InChI is InChI=1S/C8H15N3O/c1-12-8(10)6(5-9)7-3-2-4-11-7/h5,7,10-11H,2-4,9H2,1H3/b6-5-,10-8-.
What are the key properties of methyl (Z)-3-amino-2-pyrrolidin-2-ylprop-2-enimidate?
methyl (Z)-3-amino-2-pyrrolidin-2-ylprop-2-enimidate has a molecular weight of 169.23 g/mol, XLogP of 0.20, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-amino-2-pyrrolidin-2-ylprop-2-enimidate is sourced from PubChem (CID 142358213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).