1-[C,N-bis(ethenyl)carbonimidoyl]pyrrolidin-3-amine

C9H15N3 — CID 177247486

IUPAC1-[C,N-bis(ethenyl)carbonimidoyl]pyrrolidin-3-amine
SMILESC=C/N=C(\C=C)N1CCC(N)C1
InChIInChI=1S/C9H15N3/c1-3-9(11-4-2)12-6-5-8(10)7-12/h3-4,8H,1-2,5-7,10H2/b11-9+
InChIKeyJBIBRFBNDKZNEU-PKNBQFBNSA-N
MW165.24 g/mol
LogP0.75
Rot. Bonds2

About 1-[C,N-bis(ethenyl)carbonimidoyl]pyrrolidin-3-amine

1-[C,N-bis(ethenyl)carbonimidoyl]pyrrolidin-3-amine (PubChem CID 177247486) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-[C,N-bis(ethenyl)carbonimidoyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[C,N-bis(ethenyl)carbonimidoyl]pyrrolidin-3-amine
PubChem CID177247486
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name1-[C,N-bis(ethenyl)carbonimidoyl]pyrrolidin-3-amine
SMILESC=C/N=C(\C=C)N1CCC(N)C1
InChIInChI=1S/C9H15N3/c1-3-9(11-4-2)12-6-5-8(10)7-12/h3-4,8H,1-2,5-7,10H2/b11-9+
InChIKeyJBIBRFBNDKZNEU-PKNBQFBNSA-N
XLogP0.75
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[C,N-bis(ethenyl)carbonimidoyl]pyrrolidin-3-amine?
The IUPAC name of 1-[C,N-bis(ethenyl)carbonimidoyl]pyrrolidin-3-amine (CID 177247486) is 1-[C,N-bis(ethenyl)carbonimidoyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[C,N-bis(ethenyl)carbonimidoyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[C,N-bis(ethenyl)carbonimidoyl]pyrrolidin-3-amine is C=C/N=C(\C=C)N1CCC(N)C1.
What is the InChIKey of 1-[C,N-bis(ethenyl)carbonimidoyl]pyrrolidin-3-amine?
The InChIKey is JBIBRFBNDKZNEU-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H15N3/c1-3-9(11-4-2)12-6-5-8(10)7-12/h3-4,8H,1-2,5-7,10H2/b11-9+.
What are the key properties of 1-[C,N-bis(ethenyl)carbonimidoyl]pyrrolidin-3-amine?
1-[C,N-bis(ethenyl)carbonimidoyl]pyrrolidin-3-amine has a molecular weight of 165.24 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[C,N-bis(ethenyl)carbonimidoyl]pyrrolidin-3-amine is sourced from PubChem (CID 177247486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).