(6-methylidene-3,3a,4,5,7,7a-hexahydro-1H-isoindol-2-yl)phosphane

C9H16NP — CID 58885312

IUPAC(6-methylidene-3,3a,4,5,7,7a-hexahydro-1H-isoindol-2-yl)phosphane
SMILESC=C1CCC2CN(P)CC2C1
InChIInChI=1S/C9H16NP/c1-7-2-3-8-5-10(11)6-9(8)4-7/h8-9H,1-6,11H2
InChIKeyISGFLPNYGPHRQN-UHFFFAOYSA-N
MW169.21 g/mol
LogP2.06
Rot. Bonds

About (6-methylidene-3,3a,4,5,7,7a-hexahydro-1H-isoindol-2-yl)phosphane

(6-methylidene-3,3a,4,5,7,7a-hexahydro-1H-isoindol-2-yl)phosphane (PubChem CID 58885312) has the molecular formula C9H16NP and a molecular weight of 169.21 g/mol. Its IUPAC name is (6-methylidene-3,3a,4,5,7,7a-hexahydro-1H-isoindol-2-yl)phosphane.

Molecular Properties

Compound Name(6-methylidene-3,3a,4,5,7,7a-hexahydro-1H-isoindol-2-yl)phosphane
PubChem CID58885312
Molecular FormulaC9H16NP
Molecular Weight169.21 g/mol
Exact Mass169.10
IUPAC Name(6-methylidene-3,3a,4,5,7,7a-hexahydro-1H-isoindol-2-yl)phosphane
SMILESC=C1CCC2CN(P)CC2C1
InChIInChI=1S/C9H16NP/c1-7-2-3-8-5-10(11)6-9(8)4-7/h8-9H,1-6,11H2
InChIKeyISGFLPNYGPHRQN-UHFFFAOYSA-N
XLogP2.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.21
LogP ≤ 52.06
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'}

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Frequently Asked Questions

What is the IUPAC name of (6-methylidene-3,3a,4,5,7,7a-hexahydro-1H-isoindol-2-yl)phosphane?
The IUPAC name of (6-methylidene-3,3a,4,5,7,7a-hexahydro-1H-isoindol-2-yl)phosphane (CID 58885312) is (6-methylidene-3,3a,4,5,7,7a-hexahydro-1H-isoindol-2-yl)phosphane.
What is the SMILES notation for (6-methylidene-3,3a,4,5,7,7a-hexahydro-1H-isoindol-2-yl)phosphane?
The canonical SMILES for (6-methylidene-3,3a,4,5,7,7a-hexahydro-1H-isoindol-2-yl)phosphane is C=C1CCC2CN(P)CC2C1.
What is the InChIKey of (6-methylidene-3,3a,4,5,7,7a-hexahydro-1H-isoindol-2-yl)phosphane?
The InChIKey is ISGFLPNYGPHRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16NP/c1-7-2-3-8-5-10(11)6-9(8)4-7/h8-9H,1-6,11H2.
What are the key properties of (6-methylidene-3,3a,4,5,7,7a-hexahydro-1H-isoindol-2-yl)phosphane?
(6-methylidene-3,3a,4,5,7,7a-hexahydro-1H-isoindol-2-yl)phosphane has a molecular weight of 169.21 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylidene-3,3a,4,5,7,7a-hexahydro-1H-isoindol-2-yl)phosphane is sourced from PubChem (CID 58885312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).