2-methyl-1-[(3Z)-penta-1,3-dien-2-yl]-3-[(Z)-prop-1-enyl]indole

C17H19N — CID 137447929

IUPAC2-methyl-1-[(3Z)-penta-1,3-dien-2-yl]-3-[(Z)-prop-1-enyl]indole
SMILESC=C(/C=C\C)n1c(C)c(/C=C\C)c2ccccc21
InChIInChI=1S/C17H19N/c1-5-9-13(3)18-14(4)15(10-6-2)16-11-7-8-12-17(16)18/h5-12H,3H2,1-2,4H3/b9-5-,10-6-
InChIKeyRRYQKZAJLRTCBD-OZDSWYPASA-N
MW237.35 g/mol
LogP5.03
Rot. Bonds3

About 2-methyl-1-[(3Z)-penta-1,3-dien-2-yl]-3-[(Z)-prop-1-enyl]indole

2-methyl-1-[(3Z)-penta-1,3-dien-2-yl]-3-[(Z)-prop-1-enyl]indole (PubChem CID 137447929) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-methyl-1-[(3Z)-penta-1,3-dien-2-yl]-3-[(Z)-prop-1-enyl]indole.

Molecular Properties

Compound Name2-methyl-1-[(3Z)-penta-1,3-dien-2-yl]-3-[(Z)-prop-1-enyl]indole
PubChem CID137447929
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name2-methyl-1-[(3Z)-penta-1,3-dien-2-yl]-3-[(Z)-prop-1-enyl]indole
SMILESC=C(/C=C\C)n1c(C)c(/C=C\C)c2ccccc21
InChIInChI=1S/C17H19N/c1-5-9-13(3)18-14(4)15(10-6-2)16-11-7-8-12-17(16)18/h5-12H,3H2,1-2,4H3/b9-5-,10-6-
InChIKeyRRYQKZAJLRTCBD-OZDSWYPASA-N
XLogP5.03
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500237.35
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(3Z)-penta-1,3-dien-2-yl]-3-[(Z)-prop-1-enyl]indole?
The IUPAC name of 2-methyl-1-[(3Z)-penta-1,3-dien-2-yl]-3-[(Z)-prop-1-enyl]indole (CID 137447929) is 2-methyl-1-[(3Z)-penta-1,3-dien-2-yl]-3-[(Z)-prop-1-enyl]indole.
What is the SMILES notation for 2-methyl-1-[(3Z)-penta-1,3-dien-2-yl]-3-[(Z)-prop-1-enyl]indole?
The canonical SMILES for 2-methyl-1-[(3Z)-penta-1,3-dien-2-yl]-3-[(Z)-prop-1-enyl]indole is C=C(/C=C\C)n1c(C)c(/C=C\C)c2ccccc21.
What is the InChIKey of 2-methyl-1-[(3Z)-penta-1,3-dien-2-yl]-3-[(Z)-prop-1-enyl]indole?
The InChIKey is RRYQKZAJLRTCBD-OZDSWYPASA-N. The full InChI is InChI=1S/C17H19N/c1-5-9-13(3)18-14(4)15(10-6-2)16-11-7-8-12-17(16)18/h5-12H,3H2,1-2,4H3/b9-5-,10-6-.
What are the key properties of 2-methyl-1-[(3Z)-penta-1,3-dien-2-yl]-3-[(Z)-prop-1-enyl]indole?
2-methyl-1-[(3Z)-penta-1,3-dien-2-yl]-3-[(Z)-prop-1-enyl]indole has a molecular weight of 237.35 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(3Z)-penta-1,3-dien-2-yl]-3-[(Z)-prop-1-enyl]indole is sourced from PubChem (CID 137447929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).