(2R)-N-methyl-1-phosphanyl-2,5-dihydropyrrole-2-carboxamide

C6H11N2OP — CID 58797872

IUPAC(2R)-N-methyl-1-phosphanyl-2,5-dihydropyrrole-2-carboxamide
SMILESCNC(=O)[C@H]1C=CCN1P
InChIInChI=1S/C6H11N2OP/c1-7-6(9)5-3-2-4-8(5)10/h2-3,5H,4,10H2,1H3,(H,7,9)/t5-/m1/s1
InChIKeyDBYFGEMUAWQQJN-RXMQYKEDSA-N
MW158.14 g/mol
LogP-0.24
Rot. Bonds1

About (2R)-N-methyl-1-phosphanyl-2,5-dihydropyrrole-2-carboxamide

(2R)-N-methyl-1-phosphanyl-2,5-dihydropyrrole-2-carboxamide (PubChem CID 58797872) has the molecular formula C6H11N2OP and a molecular weight of 158.14 g/mol. Its IUPAC name is (2R)-N-methyl-1-phosphanyl-2,5-dihydropyrrole-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-methyl-1-phosphanyl-2,5-dihydropyrrole-2-carboxamide
PubChem CID58797872
Molecular FormulaC6H11N2OP
Molecular Weight158.14 g/mol
Exact Mass158.06
IUPAC Name(2R)-N-methyl-1-phosphanyl-2,5-dihydropyrrole-2-carboxamide
SMILESCNC(=O)[C@H]1C=CCN1P
InChIInChI=1S/C6H11N2OP/c1-7-6(9)5-3-2-4-8(5)10/h2-3,5H,4,10H2,1H3,(H,7,9)/t5-/m1/s1
InChIKeyDBYFGEMUAWQQJN-RXMQYKEDSA-N
XLogP-0.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.14
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 549255
CID 549255
CID 7408156
CID 7408156
CID 13444044
CID 13444044
CID 18736866
CID 18736866
CID 22897312
CID 22897312
CID 53879855
CID 53879855
CID 58661429
CID 58661429
CID 58797881
CID 58797881
CID 59864817
CID 59864817
CID 66879066
CID 66879066
CID 67043766
CID 67043766
CID 67043767
CID 67043767

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-1-phosphanyl-2,5-dihydropyrrole-2-carboxamide?
The IUPAC name of (2R)-N-methyl-1-phosphanyl-2,5-dihydropyrrole-2-carboxamide (CID 58797872) is (2R)-N-methyl-1-phosphanyl-2,5-dihydropyrrole-2-carboxamide.
What is the SMILES notation for (2R)-N-methyl-1-phosphanyl-2,5-dihydropyrrole-2-carboxamide?
The canonical SMILES for (2R)-N-methyl-1-phosphanyl-2,5-dihydropyrrole-2-carboxamide is CNC(=O)[C@H]1C=CCN1P.
What is the InChIKey of (2R)-N-methyl-1-phosphanyl-2,5-dihydropyrrole-2-carboxamide?
The InChIKey is DBYFGEMUAWQQJN-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H11N2OP/c1-7-6(9)5-3-2-4-8(5)10/h2-3,5H,4,10H2,1H3,(H,7,9)/t5-/m1/s1.
What are the key properties of (2R)-N-methyl-1-phosphanyl-2,5-dihydropyrrole-2-carboxamide?
(2R)-N-methyl-1-phosphanyl-2,5-dihydropyrrole-2-carboxamide has a molecular weight of 158.14 g/mol, XLogP of -0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-1-phosphanyl-2,5-dihydropyrrole-2-carboxamide is sourced from PubChem (CID 58797872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).