4-amino-1-(3-methylidenepyrrolidin-1-yl)butan-2-ol

C9H18N2O — CID 171788286

IUPAC4-amino-1-(3-methylidenepyrrolidin-1-yl)butan-2-ol
SMILESC=C1CCN(CC(O)CCN)C1
InChIInChI=1S/C9H18N2O/c1-8-3-5-11(6-8)7-9(12)2-4-10/h9,12H,1-7,10H2
InChIKeyPDXCSMFSRRJKGE-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.04
Rot. Bonds4

About 4-amino-1-(3-methylidenepyrrolidin-1-yl)butan-2-ol

4-amino-1-(3-methylidenepyrrolidin-1-yl)butan-2-ol (PubChem CID 171788286) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 4-amino-1-(3-methylidenepyrrolidin-1-yl)butan-2-ol.

Molecular Properties

Compound Name4-amino-1-(3-methylidenepyrrolidin-1-yl)butan-2-ol
PubChem CID171788286
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name4-amino-1-(3-methylidenepyrrolidin-1-yl)butan-2-ol
SMILESC=C1CCN(CC(O)CCN)C1
InChIInChI=1S/C9H18N2O/c1-8-3-5-11(6-8)7-9(12)2-4-10/h9,12H,1-7,10H2
InChIKeyPDXCSMFSRRJKGE-UHFFFAOYSA-N
XLogP-0.04
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-4-methylidenepyrrolidin-3-ol
CID 141699562
4-Methylidenepyrrolidin-3-ol
CID 141869079
(3S)-1-[(E)-4-aminobut-2-enyl]pyrrolidin-3-ol
CID 150775197
(3R)-1-[(E)-4-aminobut-2-enyl]pyrrolidin-3-ol
CID 150775198
(3R)-4-methylidenepyrrolidin-3-ol
CID 173972469
1-(2-Methylidenebutyl)pyrrolidin-3-ol
CID 66039020
(3R)-1-(2-methylidenebutyl)pyrrolidin-3-ol
CID 66291615
(3S)-1-(2-methylidenebutyl)pyrrolidin-3-ol
CID 79030587
1-[2-(Methylaminomethyl)prop-2-enyl]pyrrolidin-3-ol
CID 103070387
1-[2-[(Propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-3-ol
CID 103070388
1-[2-(Ethylaminomethyl)prop-2-enyl]pyrrolidin-3-ol
CID 103070389
1-[2-(Aminomethyl)prop-2-enyl]pyrrolidin-3-ol
CID 103070390

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-methylidenepyrrolidin-1-yl)butan-2-ol?
The IUPAC name of 4-amino-1-(3-methylidenepyrrolidin-1-yl)butan-2-ol (CID 171788286) is 4-amino-1-(3-methylidenepyrrolidin-1-yl)butan-2-ol.
What is the SMILES notation for 4-amino-1-(3-methylidenepyrrolidin-1-yl)butan-2-ol?
The canonical SMILES for 4-amino-1-(3-methylidenepyrrolidin-1-yl)butan-2-ol is C=C1CCN(CC(O)CCN)C1.
What is the InChIKey of 4-amino-1-(3-methylidenepyrrolidin-1-yl)butan-2-ol?
The InChIKey is PDXCSMFSRRJKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-8-3-5-11(6-8)7-9(12)2-4-10/h9,12H,1-7,10H2.
What are the key properties of 4-amino-1-(3-methylidenepyrrolidin-1-yl)butan-2-ol?
4-amino-1-(3-methylidenepyrrolidin-1-yl)butan-2-ol has a molecular weight of 170.26 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-methylidenepyrrolidin-1-yl)butan-2-ol is sourced from PubChem (CID 171788286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).