formaldehyde;(2S)-N-methyl-2-prop-1-en-2-ylpyrrolidin-1-amine

C9H18N2O — CID 143401668

IUPACformaldehyde;(2S)-N-methyl-2-prop-1-en-2-ylpyrrolidin-1-amine
SMILESC=C(C)[C@@H]1CCCN1NC.C=O
InChIInChI=1S/C8H16N2.CH2O/c1-7(2)8-5-4-6-10(8)9-3;1-2/h8-9H,1,4-6H2,2-3H3;1H2/t8-;/m0./s1
InChIKeyDXUBWLPSTUTFRH-QRPNPIFTSA-N
MW170.26 g/mol
LogP0.98
Rot. Bonds2

About formaldehyde;(2S)-N-methyl-2-prop-1-en-2-ylpyrrolidin-1-amine

formaldehyde;(2S)-N-methyl-2-prop-1-en-2-ylpyrrolidin-1-amine (PubChem CID 143401668) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is formaldehyde;(2S)-N-methyl-2-prop-1-en-2-ylpyrrolidin-1-amine.

Molecular Properties

Compound Nameformaldehyde;(2S)-N-methyl-2-prop-1-en-2-ylpyrrolidin-1-amine
PubChem CID143401668
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Nameformaldehyde;(2S)-N-methyl-2-prop-1-en-2-ylpyrrolidin-1-amine
SMILESC=C(C)[C@@H]1CCCN1NC.C=O
InChIInChI=1S/C8H16N2.CH2O/c1-7(2)8-5-4-6-10(8)9-3;1-2/h8-9H,1,4-6H2,2-3H3;1H2/t8-;/m0./s1
InChIKeyDXUBWLPSTUTFRH-QRPNPIFTSA-N
XLogP0.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-methyl-2-prop-1-en-2-ylpyrrolidin-1-amine
CID 143401669

Frequently Asked Questions

What is the IUPAC name of formaldehyde;(2S)-N-methyl-2-prop-1-en-2-ylpyrrolidin-1-amine?
The IUPAC name of formaldehyde;(2S)-N-methyl-2-prop-1-en-2-ylpyrrolidin-1-amine (CID 143401668) is formaldehyde;(2S)-N-methyl-2-prop-1-en-2-ylpyrrolidin-1-amine.
What is the SMILES notation for formaldehyde;(2S)-N-methyl-2-prop-1-en-2-ylpyrrolidin-1-amine?
The canonical SMILES for formaldehyde;(2S)-N-methyl-2-prop-1-en-2-ylpyrrolidin-1-amine is C=C(C)[C@@H]1CCCN1NC.C=O.
What is the InChIKey of formaldehyde;(2S)-N-methyl-2-prop-1-en-2-ylpyrrolidin-1-amine?
The InChIKey is DXUBWLPSTUTFRH-QRPNPIFTSA-N. The full InChI is InChI=1S/C8H16N2.CH2O/c1-7(2)8-5-4-6-10(8)9-3;1-2/h8-9H,1,4-6H2,2-3H3;1H2/t8-;/m0./s1.
What are the key properties of formaldehyde;(2S)-N-methyl-2-prop-1-en-2-ylpyrrolidin-1-amine?
formaldehyde;(2S)-N-methyl-2-prop-1-en-2-ylpyrrolidin-1-amine has a molecular weight of 170.26 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;(2S)-N-methyl-2-prop-1-en-2-ylpyrrolidin-1-amine is sourced from PubChem (CID 143401668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).