(1R)-1-[2-[chloro(methyl)phosphanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine

C10H17ClNP — CID 89256715

IUPAC(1R)-1-[2-[chloro(methyl)phosphanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine
SMILESC[C@H](C1C=CC=C1[P@](C)Cl)N(C)C
InChIInChI=1S/C10H17ClNP/c1-8(12(2)3)9-6-5-7-10(9)13(4)11/h5-9H,1-4H3/t8-,9?,13+/m1/s1
InChIKeyOHVUIFMQUIMBLL-NNFIZPTKSA-N
MW217.68 g/mol
LogP3.27
Rot. Bonds3

About (1R)-1-[2-[chloro(methyl)phosphanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine

(1R)-1-[2-[chloro(methyl)phosphanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine (PubChem CID 89256715) has the molecular formula C10H17ClNP and a molecular weight of 217.68 g/mol. Its IUPAC name is (1R)-1-[2-[chloro(methyl)phosphanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name(1R)-1-[2-[chloro(methyl)phosphanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine
PubChem CID89256715
Molecular FormulaC10H17ClNP
Molecular Weight217.68 g/mol
Exact Mass217.08
IUPAC Name(1R)-1-[2-[chloro(methyl)phosphanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine
SMILESC[C@H](C1C=CC=C1[P@](C)Cl)N(C)C
InChIInChI=1S/C10H17ClNP/c1-8(12(2)3)9-6-5-7-10(9)13(4)11/h5-9H,1-4H3/t8-,9?,13+/m1/s1
InChIKeyOHVUIFMQUIMBLL-NNFIZPTKSA-N
XLogP3.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.68
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[chloro(methyl)phosphanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine?
The IUPAC name of (1R)-1-[2-[chloro(methyl)phosphanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine (CID 89256715) is (1R)-1-[2-[chloro(methyl)phosphanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for (1R)-1-[2-[chloro(methyl)phosphanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for (1R)-1-[2-[chloro(methyl)phosphanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine is C[C@H](C1C=CC=C1[P@](C)Cl)N(C)C.
What is the InChIKey of (1R)-1-[2-[chloro(methyl)phosphanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine?
The InChIKey is OHVUIFMQUIMBLL-NNFIZPTKSA-N. The full InChI is InChI=1S/C10H17ClNP/c1-8(12(2)3)9-6-5-7-10(9)13(4)11/h5-9H,1-4H3/t8-,9?,13+/m1/s1.
What are the key properties of (1R)-1-[2-[chloro(methyl)phosphanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine?
(1R)-1-[2-[chloro(methyl)phosphanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine has a molecular weight of 217.68 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[chloro(methyl)phosphanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 89256715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).