(Z)-4-imino-3-pyrrolidin-3-ylbut-2-en-2-amine;molecular hydrogen

C8H19N3 — CID 153331070

IUPAC(Z)-4-imino-3-pyrrolidin-3-ylbut-2-en-2-amine;molecular hydrogen
SMILES[H]/N=C/C(=C(/C)N)C1CCNC1.[H][H].[H][H]
InChIInChI=1S/C8H15N3.2H2/c1-6(10)8(4-9)7-2-3-11-5-7;;/h4,7,9,11H,2-3,5,10H2,1H3;2*1H/b8-6+,9-4+;;
InChIKeyDYODUUXRYNVFNL-MLIZFUIZSA-N
MW157.26 g/mol
LogP0.97
Rot. Bonds2

About (Z)-4-imino-3-pyrrolidin-3-ylbut-2-en-2-amine;molecular hydrogen

(Z)-4-imino-3-pyrrolidin-3-ylbut-2-en-2-amine;molecular hydrogen (PubChem CID 153331070) has the molecular formula C8H19N3 and a molecular weight of 157.26 g/mol. Its IUPAC name is (Z)-4-imino-3-pyrrolidin-3-ylbut-2-en-2-amine;molecular hydrogen.

Molecular Properties

Compound Name(Z)-4-imino-3-pyrrolidin-3-ylbut-2-en-2-amine;molecular hydrogen
PubChem CID153331070
Molecular FormulaC8H19N3
Molecular Weight157.26 g/mol
Exact Mass157.16
IUPAC Name(Z)-4-imino-3-pyrrolidin-3-ylbut-2-en-2-amine;molecular hydrogen
SMILES[H]/N=C/C(=C(/C)N)C1CCNC1.[H][H].[H][H]
InChIInChI=1S/C8H15N3.2H2/c1-6(10)8(4-9)7-2-3-11-5-7;;/h4,7,9,11H,2-3,5,10H2,1H3;2*1H/b8-6+,9-4+;;
InChIKeyDYODUUXRYNVFNL-MLIZFUIZSA-N
XLogP0.97
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-imino-3-pyrrolidin-3-ylbut-2-en-2-amine;molecular hydrogen?
The IUPAC name of (Z)-4-imino-3-pyrrolidin-3-ylbut-2-en-2-amine;molecular hydrogen (CID 153331070) is (Z)-4-imino-3-pyrrolidin-3-ylbut-2-en-2-amine;molecular hydrogen.
What is the SMILES notation for (Z)-4-imino-3-pyrrolidin-3-ylbut-2-en-2-amine;molecular hydrogen?
The canonical SMILES for (Z)-4-imino-3-pyrrolidin-3-ylbut-2-en-2-amine;molecular hydrogen is [H]/N=C/C(=C(/C)N)C1CCNC1.[H][H].[H][H].
What is the InChIKey of (Z)-4-imino-3-pyrrolidin-3-ylbut-2-en-2-amine;molecular hydrogen?
The InChIKey is DYODUUXRYNVFNL-MLIZFUIZSA-N. The full InChI is InChI=1S/C8H15N3.2H2/c1-6(10)8(4-9)7-2-3-11-5-7;;/h4,7,9,11H,2-3,5,10H2,1H3;2*1H/b8-6+,9-4+;;.
What are the key properties of (Z)-4-imino-3-pyrrolidin-3-ylbut-2-en-2-amine;molecular hydrogen?
(Z)-4-imino-3-pyrrolidin-3-ylbut-2-en-2-amine;molecular hydrogen has a molecular weight of 157.26 g/mol, XLogP of 0.97, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-imino-3-pyrrolidin-3-ylbut-2-en-2-amine;molecular hydrogen is sourced from PubChem (CID 153331070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).