1-dodecyl-3-propylpyrrole;formonitrile

C20H36N2 — CID 175849627

IUPAC1-dodecyl-3-propylpyrrole;formonitrile
SMILESC#N.CCCCCCCCCCCCn1ccc(CCC)c1
InChIInChI=1S/C19H35N.CHN/c1-3-5-6-7-8-9-10-11-12-13-16-20-17-15-19(18-20)14-4-2;1-2/h15,17-18H,3-14,16H2,1-2H3;1H
InChIKeyFOVJWTZGDALOAO-UHFFFAOYSA-N
MW304.52 g/mol
LogP6.50
Rot. Bonds13

About 1-dodecyl-3-propylpyrrole;formonitrile

1-dodecyl-3-propylpyrrole;formonitrile (PubChem CID 175849627) has the molecular formula C20H36N2 and a molecular weight of 304.52 g/mol. Its IUPAC name is 1-dodecyl-3-propylpyrrole;formonitrile.

Molecular Properties

Compound Name1-dodecyl-3-propylpyrrole;formonitrile
PubChem CID175849627
Molecular FormulaC20H36N2
Molecular Weight304.52 g/mol
Exact Mass304.29
IUPAC Name1-dodecyl-3-propylpyrrole;formonitrile
SMILESC#N.CCCCCCCCCCCCn1ccc(CCC)c1
InChIInChI=1S/C19H35N.CHN/c1-3-5-6-7-8-9-10-11-12-13-16-20-17-15-19(18-20)14-4-2;1-2/h15,17-18H,3-14,16H2,1-2H3;1H
InChIKeyFOVJWTZGDALOAO-UHFFFAOYSA-N
XLogP6.50
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.52
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-propyl-1-undecylpyrrole;hydrochloride
CID 175874758
methanesulfonic acid;1-pentyl-3-propylpyrrole
CID 175874652
(1-heptylpyrrol-3-yl)methanol
CID 66399953
1,3-dibutylpyrrole;hydrochloride
CID 175874933
N-[(1-dodecylpyrrol-3-yl)methyl]ethanamine
CID 66404098
3-dodecyl-1-ethylpyrrole
CID 66960014
3-butyl-1-nonylpyrrole;trifluoromethanesulfonic acid
CID 175875008
(Z)-N'-[12-[3-(12-bromododecyl)pyrrol-1-yl]dodecyl]-N-tridecylethene-1,2-diamine
CID 130424625
1-methyl-3-tricosylpyrrole
CID 68544519
2-(1-propylpyrrol-3-yl)ethanamine
CID 66405428
1,3-dibutylpyrrole;trifluoromethanesulfonic acid
CID 175875115
1-decylpyridin-4-imine
CID 534503

Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-3-propylpyrrole;formonitrile?
The IUPAC name of 1-dodecyl-3-propylpyrrole;formonitrile (CID 175849627) is 1-dodecyl-3-propylpyrrole;formonitrile.
What is the SMILES notation for 1-dodecyl-3-propylpyrrole;formonitrile?
The canonical SMILES for 1-dodecyl-3-propylpyrrole;formonitrile is C#N.CCCCCCCCCCCCn1ccc(CCC)c1.
What is the InChIKey of 1-dodecyl-3-propylpyrrole;formonitrile?
The InChIKey is FOVJWTZGDALOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N.CHN/c1-3-5-6-7-8-9-10-11-12-13-16-20-17-15-19(18-20)14-4-2;1-2/h15,17-18H,3-14,16H2,1-2H3;1H.
What are the key properties of 1-dodecyl-3-propylpyrrole;formonitrile?
1-dodecyl-3-propylpyrrole;formonitrile has a molecular weight of 304.52 g/mol, XLogP of 6.50, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-3-propylpyrrole;formonitrile is sourced from PubChem (CID 175849627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).