2-methyl-5-undec-10-enyl-3,4-dihydro-2H-pyrrole

C16H29N — CID 15722664

IUPAC2-methyl-5-undec-10-enyl-3,4-dihydro-2H-pyrrole
SMILESC=CCCCCCCCCCC1=NC(C)CC1
InChIInChI=1S/C16H29N/c1-3-4-5-6-7-8-9-10-11-12-16-14-13-15(2)17-16/h3,15H,1,4-14H2,2H3
InChIKeyYYGBXYNPLXELNL-UHFFFAOYSA-N
MW235.41 g/mol
LogP5.31
Rot. Bonds10

About 2-methyl-5-undec-10-enyl-3,4-dihydro-2H-pyrrole

2-methyl-5-undec-10-enyl-3,4-dihydro-2H-pyrrole (PubChem CID 15722664) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is 2-methyl-5-undec-10-enyl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name2-methyl-5-undec-10-enyl-3,4-dihydro-2H-pyrrole
PubChem CID15722664
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name2-methyl-5-undec-10-enyl-3,4-dihydro-2H-pyrrole
SMILESC=CCCCCCCCCCC1=NC(C)CC1
InChIInChI=1S/C16H29N/c1-3-4-5-6-7-8-9-10-11-12-16-14-13-15(2)17-16/h3,15H,1,4-14H2,2H3
InChIKeyYYGBXYNPLXELNL-UHFFFAOYSA-N
XLogP5.31
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500235.41
LogP ≤ 55.31
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

5-Hex-5-enyl-2-nonyl-3,4-dihydro-2H-pyrrole
CID 14106263
2-Hex-5-enyl-5-non-8-enyl-3,4-dihydro-2H-pyrrole
CID 557705
2H-Pyrrole, 5-(5-hexenyl)-3,4-dihydro-2-(8-nonenyl)-
CID 158017
2-(3-Butenyl)-6-methyl-2,3,4,5-tetrahydropyridine 1-oxide
CID 14808042
7-prop-2-enyl-3,4,5,6-tetrahydro-2H-azepine
CID 70256777
2-butyl-5-hepta-1,3-dienyl-3,4-dihydro-2H-pyrrole
CID 600717
2-(3-Butenyl)-6-methyl-2,3,4,5-tetrahydropyridine
CID 129798131
2-Allyl-6-pentyl-2,3,4,5-tetrahydropyridine 1-oxide
CID 129798451
(2S)-2-ethenyl-6-methyl-2,3,4,5-tetrahydropyridine
CID 134862195
5-hept-1-en-4-yl-3,4-dihydro-2H-pyrrole
CID 134864048
2H-Pyrrole, 5-(5-hexenyl)-3,4-dihydro-
CID 10012094
2H-Pyrrole, 3,4-dihydro-5-(4-pentenyl)-
CID 15105256

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-undec-10-enyl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 2-methyl-5-undec-10-enyl-3,4-dihydro-2H-pyrrole (CID 15722664) is 2-methyl-5-undec-10-enyl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 2-methyl-5-undec-10-enyl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 2-methyl-5-undec-10-enyl-3,4-dihydro-2H-pyrrole is C=CCCCCCCCCCC1=NC(C)CC1.
What is the InChIKey of 2-methyl-5-undec-10-enyl-3,4-dihydro-2H-pyrrole?
The InChIKey is YYGBXYNPLXELNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-3-4-5-6-7-8-9-10-11-12-16-14-13-15(2)17-16/h3,15H,1,4-14H2,2H3.
What are the key properties of 2-methyl-5-undec-10-enyl-3,4-dihydro-2H-pyrrole?
2-methyl-5-undec-10-enyl-3,4-dihydro-2H-pyrrole has a molecular weight of 235.41 g/mol, XLogP of 5.31, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-undec-10-enyl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 15722664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).