(1-dodecylpyrrol-2-yl)phosphane

C16H30NP — CID 21095442

IUPAC(1-dodecylpyrrol-2-yl)phosphane
SMILESCCCCCCCCCCCCn1cccc1P
InChIInChI=1S/C16H30NP/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16(17)18/h12-13,15H,2-11,14,18H2,1H3
InChIKeyFGXDTEBAIJSWBF-UHFFFAOYSA-N
MW267.40 g/mol
LogP4.91
Rot. Bonds11

About (1-dodecylpyrrol-2-yl)phosphane

(1-dodecylpyrrol-2-yl)phosphane (PubChem CID 21095442) has the molecular formula C16H30NP and a molecular weight of 267.40 g/mol. Its IUPAC name is (1-dodecylpyrrol-2-yl)phosphane.

Molecular Properties

Compound Name(1-dodecylpyrrol-2-yl)phosphane
PubChem CID21095442
Molecular FormulaC16H30NP
Molecular Weight267.40 g/mol
Exact Mass267.21
IUPAC Name(1-dodecylpyrrol-2-yl)phosphane
SMILESCCCCCCCCCCCCn1cccc1P
InChIInChI=1S/C16H30NP/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16(17)18/h12-13,15H,2-11,14,18H2,1H3
InChIKeyFGXDTEBAIJSWBF-UHFFFAOYSA-N
XLogP4.91
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-undecylpyrrole;hydrofluoride
CID 175874866
1-dodecyl-2-ethylpyrrole;hydrochloride
CID 175874799
1-hexyl-2-propylpyrrole
CID 171570441
1-dodecyl-2-propylpyrrole
CID 171571227
1-octyl-2-propylpyrrole
CID 171570532
1-pentylpyrrol-2-amine
CID 68716148
N-[(1-decylpyrrol-2-yl)methyl]ethanamine
CID 66402163
1-decylpyrrole-2-carboxylic acid
CID 79103270
2-(1-nonylpyrrol-2-yl)ethanamine
CID 66405846
3-bromo-1-dodecylpyridin-2-one
CID 114761270
1-decyl-2-oxopyridine-3-carbothioamide
CID 107017794
1-butyl-2-methylpyrrole
CID 66974034

Frequently Asked Questions

What is the IUPAC name of (1-dodecylpyrrol-2-yl)phosphane?
The IUPAC name of (1-dodecylpyrrol-2-yl)phosphane (CID 21095442) is (1-dodecylpyrrol-2-yl)phosphane.
What is the SMILES notation for (1-dodecylpyrrol-2-yl)phosphane?
The canonical SMILES for (1-dodecylpyrrol-2-yl)phosphane is CCCCCCCCCCCCn1cccc1P.
What is the InChIKey of (1-dodecylpyrrol-2-yl)phosphane?
The InChIKey is FGXDTEBAIJSWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30NP/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16(17)18/h12-13,15H,2-11,14,18H2,1H3.
What are the key properties of (1-dodecylpyrrol-2-yl)phosphane?
(1-dodecylpyrrol-2-yl)phosphane has a molecular weight of 267.40 g/mol, XLogP of 4.91, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-dodecylpyrrol-2-yl)phosphane is sourced from PubChem (CID 21095442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).