1-(10-methyltricos-9-en-11-yl)pyrrole

C28H51N — CID 68723893

IUPAC1-(10-methyltricos-9-en-11-yl)pyrrole
SMILESCCCCCCCCC=C(C)C(CCCCCCCCCCCC)n1cccc1
InChIInChI=1S/C28H51N/c1-4-6-8-10-12-13-14-16-18-20-24-28(29-25-21-22-26-29)27(3)23-19-17-15-11-9-7-5-2/h21-23,25-26,28H,4-20,24H2,1-3H3
InChIKeyNFTISVCFLDXUCX-UHFFFAOYSA-N
MW401.72 g/mol
LogP10.04
Rot. Bonds20

About 1-(10-methyltricos-9-en-11-yl)pyrrole

1-(10-methyltricos-9-en-11-yl)pyrrole (PubChem CID 68723893) has the molecular formula C28H51N and a molecular weight of 401.72 g/mol. Its IUPAC name is 1-(10-methyltricos-9-en-11-yl)pyrrole.

Molecular Properties

Compound Name1-(10-methyltricos-9-en-11-yl)pyrrole
PubChem CID68723893
Molecular FormulaC28H51N
Molecular Weight401.72 g/mol
Exact Mass401.40
IUPAC Name1-(10-methyltricos-9-en-11-yl)pyrrole
SMILESCCCCCCCCC=C(C)C(CCCCCCCCCCCC)n1cccc1
InChIInChI=1S/C28H51N/c1-4-6-8-10-12-13-14-16-18-20-24-28(29-25-21-22-26-29)27(3)23-19-17-15-11-9-7-5-2/h21-23,25-26,28H,4-20,24H2,1-3H3
InChIKeyNFTISVCFLDXUCX-UHFFFAOYSA-N
XLogP10.04
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.72
LogP ≤ 510.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-5-methylnonadec-4-en-6-yl]pyrrole
CID 68723944
1-(8-methylnonadec-8-en-7-yl)pyrrole-2,5-diol
CID 90924461
1-(8-methyltricos-8-en-7-yl)pyrrole-2,5-diol
CID 91384268
1-(10-methylhenicos-10-en-9-yl)pyrrole-2,5-diol
CID 91115494
1-(10-methyltricos-9-en-11-yl)pyrrole-2,5-diol
CID 90822468
1-(11-methyltricos-10-en-12-yl)pyrrole-2,5-diol
CID 91455547
1-(6-methylpentacos-5-en-7-yl)pyrrole-2,5-diol
CID 91075537
1-(7-methylnonadec-7-en-6-yl)pyrrolidine-2,5-dione
CID 68597730
1-(10-methyltricos-10-en-9-yl)pyrrolidine-2,5-dione
CID 68595940
7,8-dimethyltridec-6-ene
CID 123214902
1-[(E)-6-methyltricos-6-en-5-yl]pyrrolidine-2,5-dione
CID 68597885
(E)-2-[(E)-pentadec-2-en-2-yl]oxypentadec-2-ene
CID 90470665

Frequently Asked Questions

What is the IUPAC name of 1-(10-methyltricos-9-en-11-yl)pyrrole?
The IUPAC name of 1-(10-methyltricos-9-en-11-yl)pyrrole (CID 68723893) is 1-(10-methyltricos-9-en-11-yl)pyrrole.
What is the SMILES notation for 1-(10-methyltricos-9-en-11-yl)pyrrole?
The canonical SMILES for 1-(10-methyltricos-9-en-11-yl)pyrrole is CCCCCCCCC=C(C)C(CCCCCCCCCCCC)n1cccc1.
What is the InChIKey of 1-(10-methyltricos-9-en-11-yl)pyrrole?
The InChIKey is NFTISVCFLDXUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H51N/c1-4-6-8-10-12-13-14-16-18-20-24-28(29-25-21-22-26-29)27(3)23-19-17-15-11-9-7-5-2/h21-23,25-26,28H,4-20,24H2,1-3H3.
What are the key properties of 1-(10-methyltricos-9-en-11-yl)pyrrole?
1-(10-methyltricos-9-en-11-yl)pyrrole has a molecular weight of 401.72 g/mol, XLogP of 10.04, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-methyltricos-9-en-11-yl)pyrrole is sourced from PubChem (CID 68723893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).