5-cyclopentyl-N-[5-methyl-3-[(Z)-1-propan-2-yliminobut-2-en-2-yl]-4,5-dihydro-3aH-indol-7-yl]-1,3-dihydropyrrol-2-imine

C25H34N4 — CID 143757024

IUPAC5-cyclopentyl-N-[5-methyl-3-[(Z)-1-propan-2-yliminobut-2-en-2-yl]-4,5-dihydro-3aH-indol-7-yl]-1,3-dihydropyrrol-2-imine
SMILESC/C=C(\C=N\C(C)C)C1=CN=C2C(/N=C3/CC=C(C4CCCC4)N3)=CC(C)CC12
InChIInChI=1S/C25H34N4/c1-5-18(14-26-16(2)3)21-15-27-25-20(21)12-17(4)13-23(25)29-24-11-10-22(28-24)19-8-6-7-9-19/h5,10,13-17,19-20H,6-9,11-12H2,1-4H3,(H,28,29)/b18-5+,26-14+
InChIKeyFOJIZQOXXBNLNA-GUXHRBPYSA-N
MW390.58 g/mol
LogP5.76
Rot. Bonds5

About 5-cyclopentyl-N-[5-methyl-3-[(Z)-1-propan-2-yliminobut-2-en-2-yl]-4,5-dihydro-3aH-indol-7-yl]-1,3-dihydropyrrol-2-imine

5-cyclopentyl-N-[5-methyl-3-[(Z)-1-propan-2-yliminobut-2-en-2-yl]-4,5-dihydro-3aH-indol-7-yl]-1,3-dihydropyrrol-2-imine (PubChem CID 143757024) has the molecular formula C25H34N4 and a molecular weight of 390.58 g/mol. Its IUPAC name is 5-cyclopentyl-N-[5-methyl-3-[(Z)-1-propan-2-yliminobut-2-en-2-yl]-4,5-dihydro-3aH-indol-7-yl]-1,3-dihydropyrrol-2-imine.

Molecular Properties

Compound Name5-cyclopentyl-N-[5-methyl-3-[(Z)-1-propan-2-yliminobut-2-en-2-yl]-4,5-dihydro-3aH-indol-7-yl]-1,3-dihydropyrrol-2-imine
PubChem CID143757024
Molecular FormulaC25H34N4
Molecular Weight390.58 g/mol
Exact Mass390.28
IUPAC Name5-cyclopentyl-N-[5-methyl-3-[(Z)-1-propan-2-yliminobut-2-en-2-yl]-4,5-dihydro-3aH-indol-7-yl]-1,3-dihydropyrrol-2-imine
SMILESC/C=C(\C=N\C(C)C)C1=CN=C2C(/N=C3/CC=C(C4CCCC4)N3)=CC(C)CC12
InChIInChI=1S/C25H34N4/c1-5-18(14-26-16(2)3)21-15-27-25-20(21)12-17(4)13-23(25)29-24-11-10-22(28-24)19-8-6-7-9-19/h5,10,13-17,19-20H,6-9,11-12H2,1-4H3,(H,28,29)/b18-5+,26-14+
InChIKeyFOJIZQOXXBNLNA-GUXHRBPYSA-N
XLogP5.76
TPSA49.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.58
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-cyclopentyl-N-[5-methyl-3-[(Z)-1-propan-2-yliminobut-2-en-2-yl]-4,5-dihydro-3aH-indol-7-yl]-1,3-dihydropyrrol-2-imine with MolForge

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Related Compounds

3-[(Z)-1-ethenyliminobut-2-en-2-yl]-N-(3-heptan-4-ylcyclopenta-1,3-dien-1-yl)-5-methyl-4,5-dihydro-3aH-indol-7-amine
CID 143756685
1-[[4-amino-3-(methyliminomethyl)buta-1,3-dien-2-yl]amino]-N'-methyl-N-pent-1-en-3-ylidene-2,3,4,5-tetrahydro-1H-indene-5-carboximidamide
CID 174307442

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-N-[5-methyl-3-[(Z)-1-propan-2-yliminobut-2-en-2-yl]-4,5-dihydro-3aH-indol-7-yl]-1,3-dihydropyrrol-2-imine?
The IUPAC name of 5-cyclopentyl-N-[5-methyl-3-[(Z)-1-propan-2-yliminobut-2-en-2-yl]-4,5-dihydro-3aH-indol-7-yl]-1,3-dihydropyrrol-2-imine (CID 143757024) is 5-cyclopentyl-N-[5-methyl-3-[(Z)-1-propan-2-yliminobut-2-en-2-yl]-4,5-dihydro-3aH-indol-7-yl]-1,3-dihydropyrrol-2-imine.
What is the SMILES notation for 5-cyclopentyl-N-[5-methyl-3-[(Z)-1-propan-2-yliminobut-2-en-2-yl]-4,5-dihydro-3aH-indol-7-yl]-1,3-dihydropyrrol-2-imine?
The canonical SMILES for 5-cyclopentyl-N-[5-methyl-3-[(Z)-1-propan-2-yliminobut-2-en-2-yl]-4,5-dihydro-3aH-indol-7-yl]-1,3-dihydropyrrol-2-imine is C/C=C(\C=N\C(C)C)C1=CN=C2C(/N=C3/CC=C(C4CCCC4)N3)=CC(C)CC12.
What is the InChIKey of 5-cyclopentyl-N-[5-methyl-3-[(Z)-1-propan-2-yliminobut-2-en-2-yl]-4,5-dihydro-3aH-indol-7-yl]-1,3-dihydropyrrol-2-imine?
The InChIKey is FOJIZQOXXBNLNA-GUXHRBPYSA-N. The full InChI is InChI=1S/C25H34N4/c1-5-18(14-26-16(2)3)21-15-27-25-20(21)12-17(4)13-23(25)29-24-11-10-22(28-24)19-8-6-7-9-19/h5,10,13-17,19-20H,6-9,11-12H2,1-4H3,(H,28,29)/b18-5+,26-14+.
What are the key properties of 5-cyclopentyl-N-[5-methyl-3-[(Z)-1-propan-2-yliminobut-2-en-2-yl]-4,5-dihydro-3aH-indol-7-yl]-1,3-dihydropyrrol-2-imine?
5-cyclopentyl-N-[5-methyl-3-[(Z)-1-propan-2-yliminobut-2-en-2-yl]-4,5-dihydro-3aH-indol-7-yl]-1,3-dihydropyrrol-2-imine has a molecular weight of 390.58 g/mol, XLogP of 5.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-N-[5-methyl-3-[(Z)-1-propan-2-yliminobut-2-en-2-yl]-4,5-dihydro-3aH-indol-7-yl]-1,3-dihydropyrrol-2-imine is sourced from PubChem (CID 143757024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).