[(2Z,4E,7Z)-1,6-dimethyl-4-pyrrol-1-ylcycloocta-2,4,7-trien-1-yl]phosphane

C14H18NP — CID 143491796

IUPAC[(2Z,4E,7Z)-1,6-dimethyl-4-pyrrol-1-ylcycloocta-2,4,7-trien-1-yl]phosphane
SMILESCC1/C=C\C(C)(P)/C=C\C(n2cccc2)=C/1
InChIInChI=1S/C14H18NP/c1-12-5-7-14(2,16)8-6-13(11-12)15-9-3-4-10-15/h3-12H,16H2,1-2H3/b7-5-,8-6-,13-11+
InChIKeyAZPBTJMMWIMMBC-ILHRLNBPSA-N
MW231.28 g/mol
LogP3.72
Rot. Bonds1

About [(2Z,4E,7Z)-1,6-dimethyl-4-pyrrol-1-ylcycloocta-2,4,7-trien-1-yl]phosphane

[(2Z,4E,7Z)-1,6-dimethyl-4-pyrrol-1-ylcycloocta-2,4,7-trien-1-yl]phosphane (PubChem CID 143491796) has the molecular formula C14H18NP and a molecular weight of 231.28 g/mol. Its IUPAC name is [(2Z,4E,7Z)-1,6-dimethyl-4-pyrrol-1-ylcycloocta-2,4,7-trien-1-yl]phosphane.

Molecular Properties

Compound Name[(2Z,4E,7Z)-1,6-dimethyl-4-pyrrol-1-ylcycloocta-2,4,7-trien-1-yl]phosphane
PubChem CID143491796
Molecular FormulaC14H18NP
Molecular Weight231.28 g/mol
Exact Mass231.12
IUPAC Name[(2Z,4E,7Z)-1,6-dimethyl-4-pyrrol-1-ylcycloocta-2,4,7-trien-1-yl]phosphane
SMILESCC1/C=C\C(C)(P)/C=C\C(n2cccc2)=C/1
InChIInChI=1S/C14H18NP/c1-12-5-7-14(2,16)8-6-13(11-12)15-9-3-4-10-15/h3-12H,16H2,1-2H3/b7-5-,8-6-,13-11+
InChIKeyAZPBTJMMWIMMBC-ILHRLNBPSA-N
XLogP3.72
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(2Z,4E,7Z)-1,6-dimethyl-4-pyrrol-1-ylcycloocta-2,4,7-trien-1-yl]phosphane with MolForge

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Related Compounds

2,6-dimethyl-6-phosphanylcyclohepta[c]pyrrole-1,3-dione
CID 143478279
1-(5-methylcyclohexa-1,3-dien-1-yl)pyrrole
CID 142108490
(2Z,5Z)-4,7,7-trimethyl-2-propan-2-yl-4H-azocine
CID 157041994
5-ethyl-2,5,6-trimethylcyclohexa-1,3-diene
CID 173459336
1,4-dimethylcyclohexa-3,5-diene-1,2-diamine
CID 53423794
1,4,6-trimethylcyclohexa-2,4-dien-1-amine
CID 68727939
2,6-dimethyl-2,6-dihydroanthracene
CID 58792602
3-methylcyclohepta-1,4,6-trien-1-ol
CID 18714791
6-fluoro-1,4-dimethylcyclohexa-2,4-dien-1-ol
CID 174534272
4,6-dimethyl-6-phosphanylcyclohexa-2,4-dien-1-ol
CID 169096029
2-butyl-5-methylcyclopenta-1,3-diene;hafnium
CID 174884437
[1-methyl-4-(3-methylcyclohepta-1,4,6-trien-1-yl)cyclohexyl]-phenylmethanone
CID 142084746

Frequently Asked Questions

What is the IUPAC name of [(2Z,4E,7Z)-1,6-dimethyl-4-pyrrol-1-ylcycloocta-2,4,7-trien-1-yl]phosphane?
The IUPAC name of [(2Z,4E,7Z)-1,6-dimethyl-4-pyrrol-1-ylcycloocta-2,4,7-trien-1-yl]phosphane (CID 143491796) is [(2Z,4E,7Z)-1,6-dimethyl-4-pyrrol-1-ylcycloocta-2,4,7-trien-1-yl]phosphane.
What is the SMILES notation for [(2Z,4E,7Z)-1,6-dimethyl-4-pyrrol-1-ylcycloocta-2,4,7-trien-1-yl]phosphane?
The canonical SMILES for [(2Z,4E,7Z)-1,6-dimethyl-4-pyrrol-1-ylcycloocta-2,4,7-trien-1-yl]phosphane is CC1/C=C\C(C)(P)/C=C\C(n2cccc2)=C/1.
What is the InChIKey of [(2Z,4E,7Z)-1,6-dimethyl-4-pyrrol-1-ylcycloocta-2,4,7-trien-1-yl]phosphane?
The InChIKey is AZPBTJMMWIMMBC-ILHRLNBPSA-N. The full InChI is InChI=1S/C14H18NP/c1-12-5-7-14(2,16)8-6-13(11-12)15-9-3-4-10-15/h3-12H,16H2,1-2H3/b7-5-,8-6-,13-11+.
What are the key properties of [(2Z,4E,7Z)-1,6-dimethyl-4-pyrrol-1-ylcycloocta-2,4,7-trien-1-yl]phosphane?
[(2Z,4E,7Z)-1,6-dimethyl-4-pyrrol-1-ylcycloocta-2,4,7-trien-1-yl]phosphane has a molecular weight of 231.28 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z,4E,7Z)-1,6-dimethyl-4-pyrrol-1-ylcycloocta-2,4,7-trien-1-yl]phosphane is sourced from PubChem (CID 143491796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).