N-[(Z)-(1-methyl-2-phenylindol-3-yl)methylideneamino]cyclopropanecarboxamide

C20H19N3O — CID 8892980

IUPACN-[(Z)-(1-methyl-2-phenylindol-3-yl)methylideneamino]cyclopropanecarboxamide
SMILESCn1c(-c2ccccc2)c(/C=N\NC(=O)C2CC2)c2ccccc21
InChIInChI=1S/C20H19N3O/c1-23-18-10-6-5-9-16(18)17(13-21-22-20(24)15-11-12-15)19(23)14-7-3-2-4-8-14/h2-10,13,15H,11-12H2,1H3,(H,22,24)/b21-13-
InChIKeyRBFMFKBIZJOQDG-BKUYFWCQSA-N
MW317.39 g/mol
LogP3.71
Rot. Bonds4

About N-[(Z)-(1-methyl-2-phenylindol-3-yl)methylideneamino]cyclopropanecarboxamide

N-[(Z)-(1-methyl-2-phenylindol-3-yl)methylideneamino]cyclopropanecarboxamide (PubChem CID 8892980) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[(Z)-(1-methyl-2-phenylindol-3-yl)methylideneamino]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(Z)-(1-methyl-2-phenylindol-3-yl)methylideneamino]cyclopropanecarboxamide
PubChem CID8892980
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC NameN-[(Z)-(1-methyl-2-phenylindol-3-yl)methylideneamino]cyclopropanecarboxamide
SMILESCn1c(-c2ccccc2)c(/C=N\NC(=O)C2CC2)c2ccccc21
InChIInChI=1S/C20H19N3O/c1-23-18-10-6-5-9-16(18)17(13-21-22-20(24)15-11-12-15)19(23)14-7-3-2-4-8-14/h2-10,13,15H,11-12H2,1H3,(H,22,24)/b21-13-
InChIKeyRBFMFKBIZJOQDG-BKUYFWCQSA-N
XLogP3.71
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]pyridine-3-carboxamide
CID 3909937
N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]cyclopropanecarboxamide
CID 9234678
4-(diethylamino)-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]benzamide
CID 2443438
2-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]guanidine
CID 22314271
(Z)-1-(1-methyl-2-phenylindol-3-yl)-N-piperidin-1-ylmethanimine
CID 7612711
2-(4-cyanophenoxy)-N-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]propanamide
CID 18206759
[(E)-[2-(4-chlorophenyl)-1-methylindol-3-yl]methylideneamino]thiourea
CID 15743041
3-(1-methyl-2-phenylindol-3-yl)-1-phenylprop-2-en-1-one
CID 67199866
(E)-2-methyl-3-(1-methyl-2-phenylindol-3-yl)prop-2-enoic acid
CID 170873291
1-ethyl-2-methyl-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]benzimidazole-5-carboxamide
CID 3882567
4-methyl-2-[2-[(1-methyl-2-phenylindol-3-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 135543932
N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]cyclopropanecarboxamide
CID 6910562

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-methyl-2-phenylindol-3-yl)methylideneamino]cyclopropanecarboxamide?
The IUPAC name of N-[(Z)-(1-methyl-2-phenylindol-3-yl)methylideneamino]cyclopropanecarboxamide (CID 8892980) is N-[(Z)-(1-methyl-2-phenylindol-3-yl)methylideneamino]cyclopropanecarboxamide.
What is the SMILES notation for N-[(Z)-(1-methyl-2-phenylindol-3-yl)methylideneamino]cyclopropanecarboxamide?
The canonical SMILES for N-[(Z)-(1-methyl-2-phenylindol-3-yl)methylideneamino]cyclopropanecarboxamide is Cn1c(-c2ccccc2)c(/C=N\NC(=O)C2CC2)c2ccccc21.
What is the InChIKey of N-[(Z)-(1-methyl-2-phenylindol-3-yl)methylideneamino]cyclopropanecarboxamide?
The InChIKey is RBFMFKBIZJOQDG-BKUYFWCQSA-N. The full InChI is InChI=1S/C20H19N3O/c1-23-18-10-6-5-9-16(18)17(13-21-22-20(24)15-11-12-15)19(23)14-7-3-2-4-8-14/h2-10,13,15H,11-12H2,1H3,(H,22,24)/b21-13-.
What are the key properties of N-[(Z)-(1-methyl-2-phenylindol-3-yl)methylideneamino]cyclopropanecarboxamide?
N-[(Z)-(1-methyl-2-phenylindol-3-yl)methylideneamino]cyclopropanecarboxamide has a molecular weight of 317.39 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-methyl-2-phenylindol-3-yl)methylideneamino]cyclopropanecarboxamide is sourced from PubChem (CID 8892980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).