(4Z)-5-hexan-2-yl-4-propylidene-2,3-dihydropyrrole

C13H23N — CID 123365366

IUPAC(4Z)-5-hexan-2-yl-4-propylidene-2,3-dihydropyrrole
SMILESCC/C=C1/CCN=C1C(C)CCCC
InChIInChI=1S/C13H23N/c1-4-6-8-11(3)13-12(7-5-2)9-10-14-13/h7,11H,4-6,8-10H2,1-3H3/b12-7-
InChIKeyNYWQNFSEVSCYSS-GHXNOFRVSA-N
MW193.33 g/mol
LogP3.99
Rot. Bonds5

About (4Z)-5-hexan-2-yl-4-propylidene-2,3-dihydropyrrole

(4Z)-5-hexan-2-yl-4-propylidene-2,3-dihydropyrrole (PubChem CID 123365366) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is (4Z)-5-hexan-2-yl-4-propylidene-2,3-dihydropyrrole.

Molecular Properties

Compound Name(4Z)-5-hexan-2-yl-4-propylidene-2,3-dihydropyrrole
PubChem CID123365366
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name(4Z)-5-hexan-2-yl-4-propylidene-2,3-dihydropyrrole
SMILESCC/C=C1/CCN=C1C(C)CCCC
InChIInChI=1S/C13H23N/c1-4-6-8-11(3)13-12(7-5-2)9-10-14-13/h7,11H,4-6,8-10H2,1-3H3/b12-7-
InChIKeyNYWQNFSEVSCYSS-GHXNOFRVSA-N
XLogP3.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Lanopylin B1
CID 10087332
CID 6445873
CID 6445873
Lanopylin A1
CID 9883534
4-Heptadecylidene-5-methyl-3,4-dihydro-2H-pyrrole
CID 71374074
5-Methyl-4-(15-methylhexadecylidene)-3,4-dihydro-2H-pyrrole
CID 71374075
2H-1-Pyridine, 5-(1-butenyl)-3,4,6,7-tetrahydro-3-methyl-, hydrochloride, (E)-(+)-
CID 6445872
Lanopylin B2
CID 11279421
Lanopylin A2
CID 11427950
(4Z)-5-methyl-4-(15-methylhexadecylidene)-2,3-dihydropyrrole
CID 20732637
5-Methyl-4-nonadec-12-enylidene-2,3-dihydropyrrole
CID 72781473
5-Methyl-4-(17-methyloctadec-12-enylidene)-2,3-dihydropyrrole
CID 72957572
3,5,5-trimethyl-N-(2-methylpropyl)cyclohex-2-en-1-imine
CID 70516911

Frequently Asked Questions

What is the IUPAC name of (4Z)-5-hexan-2-yl-4-propylidene-2,3-dihydropyrrole?
The IUPAC name of (4Z)-5-hexan-2-yl-4-propylidene-2,3-dihydropyrrole (CID 123365366) is (4Z)-5-hexan-2-yl-4-propylidene-2,3-dihydropyrrole.
What is the SMILES notation for (4Z)-5-hexan-2-yl-4-propylidene-2,3-dihydropyrrole?
The canonical SMILES for (4Z)-5-hexan-2-yl-4-propylidene-2,3-dihydropyrrole is CC/C=C1/CCN=C1C(C)CCCC.
What is the InChIKey of (4Z)-5-hexan-2-yl-4-propylidene-2,3-dihydropyrrole?
The InChIKey is NYWQNFSEVSCYSS-GHXNOFRVSA-N. The full InChI is InChI=1S/C13H23N/c1-4-6-8-11(3)13-12(7-5-2)9-10-14-13/h7,11H,4-6,8-10H2,1-3H3/b12-7-.
What are the key properties of (4Z)-5-hexan-2-yl-4-propylidene-2,3-dihydropyrrole?
(4Z)-5-hexan-2-yl-4-propylidene-2,3-dihydropyrrole has a molecular weight of 193.33 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-5-hexan-2-yl-4-propylidene-2,3-dihydropyrrole is sourced from PubChem (CID 123365366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).