N-prop-2-enyl-3,4-dihydro-2H-pyran-2-carboxamide

C9H13NO2 — CID 130635445

IUPACN-prop-2-enyl-3,4-dihydro-2H-pyran-2-carboxamide
SMILESC=CCNC(=O)C1CCC=CO1
InChIInChI=1S/C9H13NO2/c1-2-6-10-9(11)8-5-3-4-7-12-8/h2,4,7-8H,1,3,5-6H2,(H,10,11)
InChIKeyFSFVXPZLFGNXKF-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.98
Rot. Bonds3

About N-prop-2-enyl-3,4-dihydro-2H-pyran-2-carboxamide

N-prop-2-enyl-3,4-dihydro-2H-pyran-2-carboxamide (PubChem CID 130635445) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is N-prop-2-enyl-3,4-dihydro-2H-pyran-2-carboxamide.

Molecular Properties

Compound NameN-prop-2-enyl-3,4-dihydro-2H-pyran-2-carboxamide
PubChem CID130635445
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC NameN-prop-2-enyl-3,4-dihydro-2H-pyran-2-carboxamide
SMILESC=CCNC(=O)C1CCC=CO1
InChIInChI=1S/C9H13NO2/c1-2-6-10-9(11)8-5-3-4-7-12-8/h2,4,7-8H,1,3,5-6H2,(H,10,11)
InChIKeyFSFVXPZLFGNXKF-UHFFFAOYSA-N
XLogP0.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluoroethyl)-3,4-dihydro-2H-pyran-2-carboxamide
CID 126996521
N-(3,4-dihydro-2H-pyran-2-ylmethyl)prop-2-enamide
CID 102248495
N-methyl-3,4-dihydro-2H-pyran-2-carboxamide
CID 131225571
(2R,3R,4S)-3-acetamido-4-amino-N-propyl-3,4-dihydro-2H-pyran-2-carboxamide
CID 140985242
N,N-diethyl-3,4-dihydro-2H-pyran-2-carboxamide
CID 141178157
ethane;N-ethyl-2,3-dihydrofuran-2-carboxamide
CID 141975351
N-heptyl-2,3-dihydrofuran-2-carboxamide
CID 178143014
4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butanamide
CID 62064413
2-cyano-N-(3,4-dihydro-2H-pyran-2-ylmethyl)acetamide
CID 91618592
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methylprop-2-enamide
CID 102248504
5-(3,4-dihydro-2H-pyran-2-ylmethylamino)pentanamide
CID 106234456
2-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethoxy]acetamide
CID 106236107

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-3,4-dihydro-2H-pyran-2-carboxamide?
The IUPAC name of N-prop-2-enyl-3,4-dihydro-2H-pyran-2-carboxamide (CID 130635445) is N-prop-2-enyl-3,4-dihydro-2H-pyran-2-carboxamide.
What is the SMILES notation for N-prop-2-enyl-3,4-dihydro-2H-pyran-2-carboxamide?
The canonical SMILES for N-prop-2-enyl-3,4-dihydro-2H-pyran-2-carboxamide is C=CCNC(=O)C1CCC=CO1.
What is the InChIKey of N-prop-2-enyl-3,4-dihydro-2H-pyran-2-carboxamide?
The InChIKey is FSFVXPZLFGNXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-2-6-10-9(11)8-5-3-4-7-12-8/h2,4,7-8H,1,3,5-6H2,(H,10,11).
What are the key properties of N-prop-2-enyl-3,4-dihydro-2H-pyran-2-carboxamide?
N-prop-2-enyl-3,4-dihydro-2H-pyran-2-carboxamide has a molecular weight of 167.21 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-3,4-dihydro-2H-pyran-2-carboxamide is sourced from PubChem (CID 130635445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).