2-(azetidin-3-ylidene)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide

C11H18N2O2 — CID 116678659

IUPAC2-(azetidin-3-ylidene)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
SMILESCC(C(=O)NCC1(CO)CC1)=C1CNC1
InChIInChI=1S/C11H18N2O2/c1-8(9-4-12-5-9)10(15)13-6-11(7-14)2-3-11/h12,14H,2-7H2,1H3,(H,13,15)
InChIKeyTYIDADXNWOWEEG-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.21
Rot. Bonds4

About 2-(azetidin-3-ylidene)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide

2-(azetidin-3-ylidene)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide (PubChem CID 116678659) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
PubChem CID116678659
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-(azetidin-3-ylidene)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
SMILESCC(C(=O)NCC1(CO)CC1)=C1CNC1
InChIInChI=1S/C11H18N2O2/c1-8(9-4-12-5-9)10(15)13-6-11(7-14)2-3-11/h12,14H,2-7H2,1H3,(H,13,15)
InChIKeyTYIDADXNWOWEEG-UHFFFAOYSA-N
XLogP-0.21
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide (CID 116678659) is 2-(azetidin-3-ylidene)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide is CC(C(=O)NCC1(CO)CC1)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide?
The InChIKey is TYIDADXNWOWEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8(9-4-12-5-9)10(15)13-6-11(7-14)2-3-11/h12,14H,2-7H2,1H3,(H,13,15).
What are the key properties of 2-(azetidin-3-ylidene)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide?
2-(azetidin-3-ylidene)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide has a molecular weight of 210.28 g/mol, XLogP of -0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide is sourced from PubChem (CID 116678659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).