1-cyano-N-(4-methylphenyl)-2-(propylideneamino)-6,7-dihydro-5H-pyrrolizine-3-carboxamide

C19H20N4O — CID 155564403

IUPAC1-cyano-N-(4-methylphenyl)-2-(propylideneamino)-6,7-dihydro-5H-pyrrolizine-3-carboxamide
SMILESCC/C=N/c1c(C#N)c2n(c1C(=O)Nc1ccc(C)cc1)CCC2
InChIInChI=1S/C19H20N4O/c1-3-10-21-17-15(12-20)16-5-4-11-23(16)18(17)19(24)22-14-8-6-13(2)7-9-14/h6-10H,3-5,11H2,1-2H3,(H,22,24)/b21-10+
InChIKeyIFEKYQSFTRTHPI-UFFVCSGVSA-N
MW320.40 g/mol
LogP3.98
Rot. Bonds4

About 1-cyano-N-(4-methylphenyl)-2-(propylideneamino)-6,7-dihydro-5H-pyrrolizine-3-carboxamide

1-cyano-N-(4-methylphenyl)-2-(propylideneamino)-6,7-dihydro-5H-pyrrolizine-3-carboxamide (PubChem CID 155564403) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 1-cyano-N-(4-methylphenyl)-2-(propylideneamino)-6,7-dihydro-5H-pyrrolizine-3-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(4-methylphenyl)-2-(propylideneamino)-6,7-dihydro-5H-pyrrolizine-3-carboxamide
PubChem CID155564403
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name1-cyano-N-(4-methylphenyl)-2-(propylideneamino)-6,7-dihydro-5H-pyrrolizine-3-carboxamide
SMILESCC/C=N/c1c(C#N)c2n(c1C(=O)Nc1ccc(C)cc1)CCC2
InChIInChI=1S/C19H20N4O/c1-3-10-21-17-15(12-20)16-5-4-11-23(16)18(17)19(24)22-14-8-6-13(2)7-9-14/h6-10H,3-5,11H2,1-2H3,(H,22,24)/b21-10+
InChIKeyIFEKYQSFTRTHPI-UFFVCSGVSA-N
XLogP3.98
TPSA70.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-cyano-N-(4-methylphenyl)-2-(propylideneamino)-6,7-dihydro-5H-pyrrolizine-3-carboxamide?
The IUPAC name of 1-cyano-N-(4-methylphenyl)-2-(propylideneamino)-6,7-dihydro-5H-pyrrolizine-3-carboxamide (CID 155564403) is 1-cyano-N-(4-methylphenyl)-2-(propylideneamino)-6,7-dihydro-5H-pyrrolizine-3-carboxamide.
What is the SMILES notation for 1-cyano-N-(4-methylphenyl)-2-(propylideneamino)-6,7-dihydro-5H-pyrrolizine-3-carboxamide?
The canonical SMILES for 1-cyano-N-(4-methylphenyl)-2-(propylideneamino)-6,7-dihydro-5H-pyrrolizine-3-carboxamide is CC/C=N/c1c(C#N)c2n(c1C(=O)Nc1ccc(C)cc1)CCC2.
What is the InChIKey of 1-cyano-N-(4-methylphenyl)-2-(propylideneamino)-6,7-dihydro-5H-pyrrolizine-3-carboxamide?
The InChIKey is IFEKYQSFTRTHPI-UFFVCSGVSA-N. The full InChI is InChI=1S/C19H20N4O/c1-3-10-21-17-15(12-20)16-5-4-11-23(16)18(17)19(24)22-14-8-6-13(2)7-9-14/h6-10H,3-5,11H2,1-2H3,(H,22,24)/b21-10+.
What are the key properties of 1-cyano-N-(4-methylphenyl)-2-(propylideneamino)-6,7-dihydro-5H-pyrrolizine-3-carboxamide?
1-cyano-N-(4-methylphenyl)-2-(propylideneamino)-6,7-dihydro-5H-pyrrolizine-3-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(4-methylphenyl)-2-(propylideneamino)-6,7-dihydro-5H-pyrrolizine-3-carboxamide is sourced from PubChem (CID 155564403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).