1-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]-N-(methylideneamino)methanamine

C6H11N3 — CID 142850744

IUPAC1-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]-N-(methylideneamino)methanamine
SMILESC=NNC[C@@H]1C=CCN1
InChIInChI=1S/C6H11N3/c1-7-9-5-6-3-2-4-8-6/h2-3,6,8-9H,1,4-5H2/t6-/m0/s1
InChIKeyPXNVKNPPNIGRHX-LURJTMIESA-N
MW125.17 g/mol
LogP-0.28
Rot. Bonds3

About 1-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]-N-(methylideneamino)methanamine

1-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]-N-(methylideneamino)methanamine (PubChem CID 142850744) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]-N-(methylideneamino)methanamine.

Molecular Properties

Compound Name1-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]-N-(methylideneamino)methanamine
PubChem CID142850744
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name1-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]-N-(methylideneamino)methanamine
SMILESC=NNC[C@@H]1C=CCN1
InChIInChI=1S/C6H11N3/c1-7-9-5-6-3-2-4-8-6/h2-3,6,8-9H,1,4-5H2/t6-/m0/s1
InChIKeyPXNVKNPPNIGRHX-LURJTMIESA-N
XLogP-0.28
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(2S)-2,5-dihydro-1H-pyrrol-2-yl]methylhydrazine
CID 142850840
2-(Methylaminomethyl)-2,5-dihydropyrrol-1-amine
CID 156377866

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]-N-(methylideneamino)methanamine?
The IUPAC name of 1-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]-N-(methylideneamino)methanamine (CID 142850744) is 1-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]-N-(methylideneamino)methanamine.
What is the SMILES notation for 1-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]-N-(methylideneamino)methanamine?
The canonical SMILES for 1-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]-N-(methylideneamino)methanamine is C=NNC[C@@H]1C=CCN1.
What is the InChIKey of 1-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]-N-(methylideneamino)methanamine?
The InChIKey is PXNVKNPPNIGRHX-LURJTMIESA-N. The full InChI is InChI=1S/C6H11N3/c1-7-9-5-6-3-2-4-8-6/h2-3,6,8-9H,1,4-5H2/t6-/m0/s1.
What are the key properties of 1-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]-N-(methylideneamino)methanamine?
1-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]-N-(methylideneamino)methanamine has a molecular weight of 125.17 g/mol, XLogP of -0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]-N-(methylideneamino)methanamine is sourced from PubChem (CID 142850744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).