2-(phosphanyloxymethyl)-3,4-dihydro-2H-pyrrol-5-amine

C5H11N2OP — CID 59641280

IUPAC2-(phosphanyloxymethyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESNC1=NC(COP)CC1
InChIInChI=1S/C5H11N2OP/c6-5-2-1-4(7-5)3-8-9/h4H,1-3,9H2,(H2,6,7)
InChIKeyJCXNSNFPRRWZPM-UHFFFAOYSA-N
MW146.13 g/mol
LogP0.31
Rot. Bonds2

About 2-(phosphanyloxymethyl)-3,4-dihydro-2H-pyrrol-5-amine

2-(phosphanyloxymethyl)-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 59641280) has the molecular formula C5H11N2OP and a molecular weight of 146.13 g/mol. Its IUPAC name is 2-(phosphanyloxymethyl)-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound Name2-(phosphanyloxymethyl)-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID59641280
Molecular FormulaC5H11N2OP
Molecular Weight146.13 g/mol
Exact Mass146.06
IUPAC Name2-(phosphanyloxymethyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESNC1=NC(COP)CC1
InChIInChI=1S/C5H11N2OP/c6-5-2-1-4(7-5)3-8-9/h4H,1-3,9H2,(H2,6,7)
InChIKeyJCXNSNFPRRWZPM-UHFFFAOYSA-N
XLogP0.31
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.13
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 59641056
[(2R)-5-amino-3,4-dihydro-2H-pyrrol-2-yl]methanol;hydrochloride
CID 22872569
2-(cyclohexylmethyl)-2,3,4,5-tetrahydropyridin-6-amine
CID 10799502
2-benzyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 15406765
5-(phosphanyloxymethyl)pyrrolidine-2-thione
CID 59641159
4-(methoxymethyl)-6-methyl-1,4,5,6-tetrahydropyrimidin-2-amine
CID 146674814
(E,2R)-2-amino-6-[(2R)-7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl]hex-4-enoic acid
CID 59908808
2-(3-phenylpropyl)-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride
CID 131721545
(2R)-2-[(Z,5R)-5-aminohex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 59924289
(2S)-2-[(E,5R)-5-aminohex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 59908785
acetylene;2-[(Z)-hex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 142113436
2-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 12778911

Frequently Asked Questions

What is the IUPAC name of 2-(phosphanyloxymethyl)-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of 2-(phosphanyloxymethyl)-3,4-dihydro-2H-pyrrol-5-amine (CID 59641280) is 2-(phosphanyloxymethyl)-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for 2-(phosphanyloxymethyl)-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for 2-(phosphanyloxymethyl)-3,4-dihydro-2H-pyrrol-5-amine is NC1=NC(COP)CC1.
What is the InChIKey of 2-(phosphanyloxymethyl)-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is JCXNSNFPRRWZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N2OP/c6-5-2-1-4(7-5)3-8-9/h4H,1-3,9H2,(H2,6,7).
What are the key properties of 2-(phosphanyloxymethyl)-3,4-dihydro-2H-pyrrol-5-amine?
2-(phosphanyloxymethyl)-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 146.13 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phosphanyloxymethyl)-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 59641280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).