N-[(Z)-4-(azetidin-3-yl)-3-methylbut-3-enyl]formamide

C9H16N2O — CID 164561685

IUPACN-[(Z)-4-(azetidin-3-yl)-3-methylbut-3-enyl]formamide
SMILESC/C(=C/C1CNC1)CCNC=O
InChIInChI=1S/C9H16N2O/c1-8(2-3-10-7-12)4-9-5-11-6-9/h4,7,9,11H,2-3,5-6H2,1H3,(H,10,12)/b8-4-
InChIKeyZDSKGJIGKIZIFC-YWEYNIOJSA-N
MW168.24 g/mol
LogP0.29
Rot. Bonds5

About N-[(Z)-4-(azetidin-3-yl)-3-methylbut-3-enyl]formamide

N-[(Z)-4-(azetidin-3-yl)-3-methylbut-3-enyl]formamide (PubChem CID 164561685) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-[(Z)-4-(azetidin-3-yl)-3-methylbut-3-enyl]formamide.

Molecular Properties

Compound NameN-[(Z)-4-(azetidin-3-yl)-3-methylbut-3-enyl]formamide
PubChem CID164561685
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-[(Z)-4-(azetidin-3-yl)-3-methylbut-3-enyl]formamide
SMILESC/C(=C/C1CNC1)CCNC=O
InChIInChI=1S/C9H16N2O/c1-8(2-3-10-7-12)4-9-5-11-6-9/h4,7,9,11H,2-3,5-6H2,1H3,(H,10,12)/b8-4-
InChIKeyZDSKGJIGKIZIFC-YWEYNIOJSA-N
XLogP0.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-(azetidin-3-yl)-3-methylbut-3-enyl]formamide?
The IUPAC name of N-[(Z)-4-(azetidin-3-yl)-3-methylbut-3-enyl]formamide (CID 164561685) is N-[(Z)-4-(azetidin-3-yl)-3-methylbut-3-enyl]formamide.
What is the SMILES notation for N-[(Z)-4-(azetidin-3-yl)-3-methylbut-3-enyl]formamide?
The canonical SMILES for N-[(Z)-4-(azetidin-3-yl)-3-methylbut-3-enyl]formamide is C/C(=C/C1CNC1)CCNC=O.
What is the InChIKey of N-[(Z)-4-(azetidin-3-yl)-3-methylbut-3-enyl]formamide?
The InChIKey is ZDSKGJIGKIZIFC-YWEYNIOJSA-N. The full InChI is InChI=1S/C9H16N2O/c1-8(2-3-10-7-12)4-9-5-11-6-9/h4,7,9,11H,2-3,5-6H2,1H3,(H,10,12)/b8-4-.
What are the key properties of N-[(Z)-4-(azetidin-3-yl)-3-methylbut-3-enyl]formamide?
N-[(Z)-4-(azetidin-3-yl)-3-methylbut-3-enyl]formamide has a molecular weight of 168.24 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-(azetidin-3-yl)-3-methylbut-3-enyl]formamide is sourced from PubChem (CID 164561685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).