N-[1-(2-hydroxy-2-methylpropyl)azetidin-3-yl]prop-2-enamide

C10H18N2O2 — CID 146095246

IUPACN-[1-(2-hydroxy-2-methylpropyl)azetidin-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1CN(CC(C)(C)O)C1
InChIInChI=1S/C10H18N2O2/c1-4-9(13)11-8-5-12(6-8)7-10(2,3)14/h4,8,14H,1,5-7H2,2-3H3,(H,11,13)
InChIKeyANDCREWAHIRVBK-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.26
Rot. Bonds4

About N-[1-(2-hydroxy-2-methylpropyl)azetidin-3-yl]prop-2-enamide

N-[1-(2-hydroxy-2-methylpropyl)azetidin-3-yl]prop-2-enamide (PubChem CID 146095246) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-[1-(2-hydroxy-2-methylpropyl)azetidin-3-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-(2-hydroxy-2-methylpropyl)azetidin-3-yl]prop-2-enamide
PubChem CID146095246
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-[1-(2-hydroxy-2-methylpropyl)azetidin-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1CN(CC(C)(C)O)C1
InChIInChI=1S/C10H18N2O2/c1-4-9(13)11-8-5-12(6-8)7-10(2,3)14/h4,8,14H,1,5-7H2,2-3H3,(H,11,13)
InChIKeyANDCREWAHIRVBK-UHFFFAOYSA-N
XLogP-0.26
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[3-(Tert-butylamino)azetidin-1-yl]prop-2-en-1-one
CID 130318545
N-(1-propan-2-ylazetidin-3-yl)prop-2-enamide
CID 131109389
n-[1-(Prop-2-enoyl)azetidin-3-yl]acetamide
CID 131212469
N-[2-(2-hydroxypropan-2-yl)-1-propan-2-ylazetidin-3-yl]prop-2-enamide
CID 135165392
N-[3-(1-hydroxyethenyl)-1-propan-2-ylazetidin-3-yl]prop-2-enamide
CID 135165430
N-(2-methyl-1-propan-2-ylazetidin-3-yl)prop-2-enamide
CID 135165433
1-[3-(Propan-2-ylamino)azetidin-1-yl]prop-2-en-1-one
CID 135165444
N-(1-tert-butylazetidin-3-yl)prop-2-enamide
CID 146367143
Tert-butyl (1-acryloylazetidin-3-yl)carbamate
CID 146504176
CID 153594438
CID 153594438
1-[2-[(Propan-2-ylamino)methyl]azetidin-1-yl]prop-2-en-1-one
CID 167098403
N-[1-(2-methylpropyl)azetidin-3-yl]prop-2-enamide
CID 167098404

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxy-2-methylpropyl)azetidin-3-yl]prop-2-enamide?
The IUPAC name of N-[1-(2-hydroxy-2-methylpropyl)azetidin-3-yl]prop-2-enamide (CID 146095246) is N-[1-(2-hydroxy-2-methylpropyl)azetidin-3-yl]prop-2-enamide.
What is the SMILES notation for N-[1-(2-hydroxy-2-methylpropyl)azetidin-3-yl]prop-2-enamide?
The canonical SMILES for N-[1-(2-hydroxy-2-methylpropyl)azetidin-3-yl]prop-2-enamide is C=CC(=O)NC1CN(CC(C)(C)O)C1.
What is the InChIKey of N-[1-(2-hydroxy-2-methylpropyl)azetidin-3-yl]prop-2-enamide?
The InChIKey is ANDCREWAHIRVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-4-9(13)11-8-5-12(6-8)7-10(2,3)14/h4,8,14H,1,5-7H2,2-3H3,(H,11,13).
What are the key properties of N-[1-(2-hydroxy-2-methylpropyl)azetidin-3-yl]prop-2-enamide?
N-[1-(2-hydroxy-2-methylpropyl)azetidin-3-yl]prop-2-enamide has a molecular weight of 198.27 g/mol, XLogP of -0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxy-2-methylpropyl)azetidin-3-yl]prop-2-enamide is sourced from PubChem (CID 146095246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).