(4S)-5-methyl-4-[(Z)-pentadec-7-enyl]-3,4-dihydro-2H-pyrrole

C20H37N — CID 163028765

IUPAC(4S)-5-methyl-4-[(Z)-pentadec-7-enyl]-3,4-dihydro-2H-pyrrole
SMILESCCCCCCC/C=C\CCCCCC[C@H]1CCN=C1C
InChIInChI=1S/C20H37N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-18-21-19(20)2/h9-10,20H,3-8,11-18H2,1-2H3/b10-9-/t20-/m0/s1
InChIKeyFWSSLXUYBRZUKY-QJRAZLAKSA-N
MW291.52 g/mol
LogP6.72
Rot. Bonds13

About (4S)-5-methyl-4-[(Z)-pentadec-7-enyl]-3,4-dihydro-2H-pyrrole

(4S)-5-methyl-4-[(Z)-pentadec-7-enyl]-3,4-dihydro-2H-pyrrole (PubChem CID 163028765) has the molecular formula C20H37N and a molecular weight of 291.52 g/mol. Its IUPAC name is (4S)-5-methyl-4-[(Z)-pentadec-7-enyl]-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name(4S)-5-methyl-4-[(Z)-pentadec-7-enyl]-3,4-dihydro-2H-pyrrole
PubChem CID163028765
Molecular FormulaC20H37N
Molecular Weight291.52 g/mol
Exact Mass291.29
IUPAC Name(4S)-5-methyl-4-[(Z)-pentadec-7-enyl]-3,4-dihydro-2H-pyrrole
SMILESCCCCCCC/C=C\CCCCCC[C@H]1CCN=C1C
InChIInChI=1S/C20H37N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-18-21-19(20)2/h9-10,20H,3-8,11-18H2,1-2H3/b10-9-/t20-/m0/s1
InChIKeyFWSSLXUYBRZUKY-QJRAZLAKSA-N
XLogP6.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.52
LogP ≤ 56.72
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

(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710
(E)-docos-6-ene
CID 22172020
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(24Z)-hexatriaconta-9,24-diene
CID 173127472
(Z)-heptacos-11-ene
CID 56936074

Frequently Asked Questions

What is the IUPAC name of (4S)-5-methyl-4-[(Z)-pentadec-7-enyl]-3,4-dihydro-2H-pyrrole?
The IUPAC name of (4S)-5-methyl-4-[(Z)-pentadec-7-enyl]-3,4-dihydro-2H-pyrrole (CID 163028765) is (4S)-5-methyl-4-[(Z)-pentadec-7-enyl]-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for (4S)-5-methyl-4-[(Z)-pentadec-7-enyl]-3,4-dihydro-2H-pyrrole?
The canonical SMILES for (4S)-5-methyl-4-[(Z)-pentadec-7-enyl]-3,4-dihydro-2H-pyrrole is CCCCCCC/C=C\CCCCCC[C@H]1CCN=C1C.
What is the InChIKey of (4S)-5-methyl-4-[(Z)-pentadec-7-enyl]-3,4-dihydro-2H-pyrrole?
The InChIKey is FWSSLXUYBRZUKY-QJRAZLAKSA-N. The full InChI is InChI=1S/C20H37N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-18-21-19(20)2/h9-10,20H,3-8,11-18H2,1-2H3/b10-9-/t20-/m0/s1.
What are the key properties of (4S)-5-methyl-4-[(Z)-pentadec-7-enyl]-3,4-dihydro-2H-pyrrole?
(4S)-5-methyl-4-[(Z)-pentadec-7-enyl]-3,4-dihydro-2H-pyrrole has a molecular weight of 291.52 g/mol, XLogP of 6.72, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-methyl-4-[(Z)-pentadec-7-enyl]-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 163028765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).