[1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]methanol

C12H24N2O — CID 103069575

IUPAC[1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]methanol
SMILESC=C(CNC(C)C)CN1CCCC1CO
InChIInChI=1S/C12H24N2O/c1-10(2)13-7-11(3)8-14-6-4-5-12(14)9-15/h10,12-13,15H,3-9H2,1-2H3
InChIKeyMPJVKZDBLBWFRO-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.00
Rot. Bonds6

About [1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]methanol

[1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]methanol (PubChem CID 103069575) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is [1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]methanol
PubChem CID103069575
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name[1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]methanol
SMILESC=C(CNC(C)C)CN1CCCC1CO
InChIInChI=1S/C12H24N2O/c1-10(2)13-7-11(3)8-14-6-4-5-12(14)9-15/h10,12-13,15H,3-9H2,1-2H3
InChIKeyMPJVKZDBLBWFRO-UHFFFAOYSA-N
XLogP1.00
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]methanol (CID 103069575) is [1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]methanol is C=C(CNC(C)C)CN1CCCC1CO.
What is the InChIKey of [1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]methanol?
The InChIKey is MPJVKZDBLBWFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10(2)13-7-11(3)8-14-6-4-5-12(14)9-15/h10,12-13,15H,3-9H2,1-2H3.
What are the key properties of [1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]methanol?
[1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]methanol has a molecular weight of 212.34 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 103069575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).