(2Z)-2-(cyclopropylmethylidene)-1-ethyl-5-methoxy-3-methyl-3-[(2,4,6-trimethylcyclohexa-2,4-dien-1-yl)methyl]-5,6-dihydroindole

C26H37NO — CID 163926908

IUPAC(2Z)-2-(cyclopropylmethylidene)-1-ethyl-5-methoxy-3-methyl-3-[(2,4,6-trimethylcyclohexa-2,4-dien-1-yl)methyl]-5,6-dihydroindole
SMILESCCN1C2=CCC(OC)C=C2C(C)(CC2C(C)=CC(C)=CC2C)/C1=C/C1CC1
InChIInChI=1S/C26H37NO/c1-7-27-24-11-10-21(28-6)15-23(24)26(5,25(27)14-20-8-9-20)16-22-18(3)12-17(2)13-19(22)4/h11-15,18,20-22H,7-10,16H2,1-6H3/b25-14-
InChIKeyRFHCPEJKYXWBJR-QFEZKATASA-N
MW379.59 g/mol
LogP6.40
Rot. Bonds5

About (2Z)-2-(cyclopropylmethylidene)-1-ethyl-5-methoxy-3-methyl-3-[(2,4,6-trimethylcyclohexa-2,4-dien-1-yl)methyl]-5,6-dihydroindole

(2Z)-2-(cyclopropylmethylidene)-1-ethyl-5-methoxy-3-methyl-3-[(2,4,6-trimethylcyclohexa-2,4-dien-1-yl)methyl]-5,6-dihydroindole (PubChem CID 163926908) has the molecular formula C26H37NO and a molecular weight of 379.59 g/mol. Its IUPAC name is (2Z)-2-(cyclopropylmethylidene)-1-ethyl-5-methoxy-3-methyl-3-[(2,4,6-trimethylcyclohexa-2,4-dien-1-yl)methyl]-5,6-dihydroindole.

Molecular Properties

Compound Name(2Z)-2-(cyclopropylmethylidene)-1-ethyl-5-methoxy-3-methyl-3-[(2,4,6-trimethylcyclohexa-2,4-dien-1-yl)methyl]-5,6-dihydroindole
PubChem CID163926908
Molecular FormulaC26H37NO
Molecular Weight379.59 g/mol
Exact Mass379.29
IUPAC Name(2Z)-2-(cyclopropylmethylidene)-1-ethyl-5-methoxy-3-methyl-3-[(2,4,6-trimethylcyclohexa-2,4-dien-1-yl)methyl]-5,6-dihydroindole
SMILESCCN1C2=CCC(OC)C=C2C(C)(CC2C(C)=CC(C)=CC2C)/C1=C/C1CC1
InChIInChI=1S/C26H37NO/c1-7-27-24-11-10-21(28-6)15-23(24)26(5,25(27)14-20-8-9-20)16-22-18(3)12-17(2)13-19(22)4/h11-15,18,20-22H,7-10,16H2,1-6H3/b25-14-
InChIKeyRFHCPEJKYXWBJR-QFEZKATASA-N
XLogP6.40
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.59
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2Z)-2-(cyclopropylmethylidene)-1-ethyl-5-methoxy-3-methyl-3-[(2,4,6-trimethylcyclohexa-2,4-dien-1-yl)methyl]-5,6-dihydroindole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(cyclopropylmethylidene)-1-ethyl-5-methoxy-3-methyl-3-[(2,4,6-trimethylcyclohexa-2,4-dien-1-yl)methyl]-5,6-dihydroindole?
The IUPAC name of (2Z)-2-(cyclopropylmethylidene)-1-ethyl-5-methoxy-3-methyl-3-[(2,4,6-trimethylcyclohexa-2,4-dien-1-yl)methyl]-5,6-dihydroindole (CID 163926908) is (2Z)-2-(cyclopropylmethylidene)-1-ethyl-5-methoxy-3-methyl-3-[(2,4,6-trimethylcyclohexa-2,4-dien-1-yl)methyl]-5,6-dihydroindole.
What is the SMILES notation for (2Z)-2-(cyclopropylmethylidene)-1-ethyl-5-methoxy-3-methyl-3-[(2,4,6-trimethylcyclohexa-2,4-dien-1-yl)methyl]-5,6-dihydroindole?
The canonical SMILES for (2Z)-2-(cyclopropylmethylidene)-1-ethyl-5-methoxy-3-methyl-3-[(2,4,6-trimethylcyclohexa-2,4-dien-1-yl)methyl]-5,6-dihydroindole is CCN1C2=CCC(OC)C=C2C(C)(CC2C(C)=CC(C)=CC2C)/C1=C/C1CC1.
What is the InChIKey of (2Z)-2-(cyclopropylmethylidene)-1-ethyl-5-methoxy-3-methyl-3-[(2,4,6-trimethylcyclohexa-2,4-dien-1-yl)methyl]-5,6-dihydroindole?
The InChIKey is RFHCPEJKYXWBJR-QFEZKATASA-N. The full InChI is InChI=1S/C26H37NO/c1-7-27-24-11-10-21(28-6)15-23(24)26(5,25(27)14-20-8-9-20)16-22-18(3)12-17(2)13-19(22)4/h11-15,18,20-22H,7-10,16H2,1-6H3/b25-14-.
What are the key properties of (2Z)-2-(cyclopropylmethylidene)-1-ethyl-5-methoxy-3-methyl-3-[(2,4,6-trimethylcyclohexa-2,4-dien-1-yl)methyl]-5,6-dihydroindole?
(2Z)-2-(cyclopropylmethylidene)-1-ethyl-5-methoxy-3-methyl-3-[(2,4,6-trimethylcyclohexa-2,4-dien-1-yl)methyl]-5,6-dihydroindole has a molecular weight of 379.59 g/mol, XLogP of 6.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(cyclopropylmethylidene)-1-ethyl-5-methoxy-3-methyl-3-[(2,4,6-trimethylcyclohexa-2,4-dien-1-yl)methyl]-5,6-dihydroindole is sourced from PubChem (CID 163926908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).