N,N-di(propan-2-yl)prop-2-enamide

C9H17NO — CID 559397

IUPACN,N-di(propan-2-yl)prop-2-enamide
SMILESC=CC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C9H17NO/c1-6-9(11)10(7(2)3)8(4)5/h6-8H,1H2,2-5H3
InChIKeyYHOSNAAUPKDRMI-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.82
Rot. Bonds3

About N,N-di(propan-2-yl)prop-2-enamide

N,N-di(propan-2-yl)prop-2-enamide (PubChem CID 559397) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N,N-di(propan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN,N-di(propan-2-yl)prop-2-enamide
PubChem CID559397
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN,N-di(propan-2-yl)prop-2-enamide
SMILESC=CC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C9H17NO/c1-6-9(11)10(7(2)3)8(4)5/h6-8H,1H2,2-5H3
InChIKeyYHOSNAAUPKDRMI-UHFFFAOYSA-N
XLogP1.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 N,N-di(propan-2-yl)prop-2-enamide?
The IUPAC name of N,N-di(propan-2-yl)prop-2-enamide (CID 559397) is N,N-di(propan-2-yl)prop-2-enamide.
What is the SMILES notation for N,N-di(propan-2-yl)prop-2-enamide?
The canonical SMILES for N,N-di(propan-2-yl)prop-2-enamide is C=CC(=O)N(C(C)C)C(C)C.
What is the InChIKey of N,N-di(propan-2-yl)prop-2-enamide?
The InChIKey is YHOSNAAUPKDRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-6-9(11)10(7(2)3)8(4)5/h6-8H,1H2,2-5H3.
What are the key properties of N,N-di(propan-2-yl)prop-2-enamide?
N,N-di(propan-2-yl)prop-2-enamide has a molecular weight of 155.24 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)prop-2-enamide is sourced from PubChem (CID 559397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).