(Z)-dimethylamino-(2-propylcyclopenta-2,4-dien-1-ylidene)methanol

C₁₁H₁₇NO — CID 178074578

About (Z)-dimethylamino-(2-propylcyclopenta-2,4-dien-1-ylidene)methanol

(Z)-dimethylamino-(2-propylcyclopenta-2,4-dien-1-ylidene)methanol (PubChem CID 178074578) has the molecular formula C₁₁H₁₇NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (Z)-dimethylamino-(2-propylcyclopenta-2,4-dien-1-ylidene)methanol.

Molecular Properties

• Compound Name: (Z)-dimethylamino-(2-propylcyclopenta-2,4-dien-1-ylidene)methanol
• PubChem CID: 178074578
• Molecular Formula: C₁₁H₁₇NO
• Molecular Weight: 179.26 g/mol
• Exact Mass: 179.13
• IUPAC Name: (Z)-dimethylamino-(2-propylcyclopenta-2,4-dien-1-ylidene)methanol
• SMILES: CCCC1=CC=C/C1=C(/O)N(C)C
• InChI: InChI=1S/C11H17NO/c1-4-6-9-7-5-8-10(9)11(13)12(2)3/h5,7-8,13H,4,6H2,1-3H3/b11-10-
• InChIKey: QGUFEMNNUZLBCP-KHPPLWFESA-N
• XLogP: 2.61
• TPSA: 23.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	179.26
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-dimethylamino-(2-propylcyclopenta-2,4-dien-1-ylidene)methanol?

The IUPAC name of (Z)-dimethylamino-(2-propylcyclopenta-2,4-dien-1-ylidene)methanol (CID 178074578) is (Z)-dimethylamino-(2-propylcyclopenta-2,4-dien-1-ylidene)methanol.

What is the SMILES notation for (Z)-dimethylamino-(2-propylcyclopenta-2,4-dien-1-ylidene)methanol?

The canonical SMILES for (Z)-dimethylamino-(2-propylcyclopenta-2,4-dien-1-ylidene)methanol is CCCC1=CC=C/C1=C(/O)N(C)C.

What is the InChIKey of (Z)-dimethylamino-(2-propylcyclopenta-2,4-dien-1-ylidene)methanol?

The InChIKey is QGUFEMNNUZLBCP-KHPPLWFESA-N. The full InChI is InChI=1S/C11H17NO/c1-4-6-9-7-5-8-10(9)11(13)12(2)3/h5,7-8,13H,4,6H2,1-3H3/b11-10-.

What are the key properties of (Z)-dimethylamino-(2-propylcyclopenta-2,4-dien-1-ylidene)methanol?

(Z)-dimethylamino-(2-propylcyclopenta-2,4-dien-1-ylidene)methanol has a molecular weight of 179.26 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-dimethylamino-(2-propylcyclopenta-2,4-dien-1-ylidene)methanol is sourced from PubChem (CID 178074578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 178074578 — identifiers, structure, computed properties (public domain)

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