(2Z)-2-(2-benzyl-1,3,3a,8b-tetrahydroindeno[1,2-c]pyrrol-4-ylidene)acetaldehyde

C20H19NO — CID 89279522

IUPAC(2Z)-2-(2-benzyl-1,3,3a,8b-tetrahydroindeno[1,2-c]pyrrol-4-ylidene)acetaldehyde
SMILESO=C/C=C1\c2ccccc2C2CN(Cc3ccccc3)CC12
InChIInChI=1S/C20H19NO/c22-11-10-18-16-8-4-5-9-17(16)19-13-21(14-20(18)19)12-15-6-2-1-3-7-15/h1-11,19-20H,12-14H2/b18-10+
InChIKeyYXGGMLOQHHNFLE-VCHYOVAHSA-N
MW289.38 g/mol
LogP3.50
Rot. Bonds3

About (2Z)-2-(2-benzyl-1,3,3a,8b-tetrahydroindeno[1,2-c]pyrrol-4-ylidene)acetaldehyde

(2Z)-2-(2-benzyl-1,3,3a,8b-tetrahydroindeno[1,2-c]pyrrol-4-ylidene)acetaldehyde (PubChem CID 89279522) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is (2Z)-2-(2-benzyl-1,3,3a,8b-tetrahydroindeno[1,2-c]pyrrol-4-ylidene)acetaldehyde.

Molecular Properties

Compound Name(2Z)-2-(2-benzyl-1,3,3a,8b-tetrahydroindeno[1,2-c]pyrrol-4-ylidene)acetaldehyde
PubChem CID89279522
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC Name(2Z)-2-(2-benzyl-1,3,3a,8b-tetrahydroindeno[1,2-c]pyrrol-4-ylidene)acetaldehyde
SMILESO=C/C=C1\c2ccccc2C2CN(Cc3ccccc3)CC12
InChIInChI=1S/C20H19NO/c22-11-10-18-16-8-4-5-9-17(16)19-13-21(14-20(18)19)12-15-6-2-1-3-7-15/h1-11,19-20H,12-14H2/b18-10+
InChIKeyYXGGMLOQHHNFLE-VCHYOVAHSA-N
XLogP3.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[(3S,4R)-1-benzyl-4-(2-hydroxyphenyl)pyrrolidin-3-yl]phenol
CID 70345589
(3aS,10bS)-2-benzyl-1,3,3a,4,5,10b-hexahydropyrrolo[3,4-d][2]benzazepin-6-one
CID 66821521
1-benzyl-3,4-diphenylpyrrolidine
CID 5136126
(3aR,9bR)-2-benzyl-3,3a,5,9b-tetrahydro-1H-pyrrolo[3,4-c]quinolin-4-one
CID 124803001
10-benzyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;hydrochloride
CID 69032798
1-benzyl-4-phenylpyrrolidin-3-ol
CID 12044053
(3R,4S)-1-benzyl-3-(2-methylphenyl)-4-nitropyrrolidine
CID 66940986
2-(1-benzylazetidin-3-yl)acetamide
CID 67172961
3-(1-benzylazetidin-3-yl)propanal
CID 83908522
(3R,4S)-1-benzyl-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 66606644
methyl (3S,4R)-1-benzyl-4-(2-methylphenyl)pyrrolidine-3-carboxylate
CID 59563644
1-benzyl-4-(2-iodophenyl)pyrrolidine-3-carboxylic acid
CID 75217579

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(2-benzyl-1,3,3a,8b-tetrahydroindeno[1,2-c]pyrrol-4-ylidene)acetaldehyde?
The IUPAC name of (2Z)-2-(2-benzyl-1,3,3a,8b-tetrahydroindeno[1,2-c]pyrrol-4-ylidene)acetaldehyde (CID 89279522) is (2Z)-2-(2-benzyl-1,3,3a,8b-tetrahydroindeno[1,2-c]pyrrol-4-ylidene)acetaldehyde.
What is the SMILES notation for (2Z)-2-(2-benzyl-1,3,3a,8b-tetrahydroindeno[1,2-c]pyrrol-4-ylidene)acetaldehyde?
The canonical SMILES for (2Z)-2-(2-benzyl-1,3,3a,8b-tetrahydroindeno[1,2-c]pyrrol-4-ylidene)acetaldehyde is O=C/C=C1\c2ccccc2C2CN(Cc3ccccc3)CC12.
What is the InChIKey of (2Z)-2-(2-benzyl-1,3,3a,8b-tetrahydroindeno[1,2-c]pyrrol-4-ylidene)acetaldehyde?
The InChIKey is YXGGMLOQHHNFLE-VCHYOVAHSA-N. The full InChI is InChI=1S/C20H19NO/c22-11-10-18-16-8-4-5-9-17(16)19-13-21(14-20(18)19)12-15-6-2-1-3-7-15/h1-11,19-20H,12-14H2/b18-10+.
What are the key properties of (2Z)-2-(2-benzyl-1,3,3a,8b-tetrahydroindeno[1,2-c]pyrrol-4-ylidene)acetaldehyde?
(2Z)-2-(2-benzyl-1,3,3a,8b-tetrahydroindeno[1,2-c]pyrrol-4-ylidene)acetaldehyde has a molecular weight of 289.38 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(2-benzyl-1,3,3a,8b-tetrahydroindeno[1,2-c]pyrrol-4-ylidene)acetaldehyde is sourced from PubChem (CID 89279522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).