(2Z)-2-[4,5-bis(ethenyl)-2,2-dimethyl-3H-pyran-6-ylidene]pyrrolidine

C15H21NO — CID 145138478

IUPAC(2Z)-2-[4,5-bis(ethenyl)-2,2-dimethyl-3H-pyran-6-ylidene]pyrrolidine
SMILESC=CC1=C(C=C)/C(=C2\CCCN2)OC(C)(C)C1
InChIInChI=1S/C15H21NO/c1-5-11-10-15(3,4)17-14(12(11)6-2)13-8-7-9-16-13/h5-6,16H,1-2,7-10H2,3-4H3/b14-13-
InChIKeyNRXADAJLQUVUEI-YPKPFQOOSA-N
MW231.34 g/mol
LogP3.45
Rot. Bonds2

About (2Z)-2-[4,5-bis(ethenyl)-2,2-dimethyl-3H-pyran-6-ylidene]pyrrolidine

(2Z)-2-[4,5-bis(ethenyl)-2,2-dimethyl-3H-pyran-6-ylidene]pyrrolidine (PubChem CID 145138478) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (2Z)-2-[4,5-bis(ethenyl)-2,2-dimethyl-3H-pyran-6-ylidene]pyrrolidine.

Molecular Properties

Compound Name(2Z)-2-[4,5-bis(ethenyl)-2,2-dimethyl-3H-pyran-6-ylidene]pyrrolidine
PubChem CID145138478
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(2Z)-2-[4,5-bis(ethenyl)-2,2-dimethyl-3H-pyran-6-ylidene]pyrrolidine
SMILESC=CC1=C(C=C)/C(=C2\CCCN2)OC(C)(C)C1
InChIInChI=1S/C15H21NO/c1-5-11-10-15(3,4)17-14(12(11)6-2)13-8-7-9-16-13/h5-6,16H,1-2,7-10H2,3-4H3/b14-13-
InChIKeyNRXADAJLQUVUEI-YPKPFQOOSA-N
XLogP3.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2,2-trimethyl-6-[(Z)-prop-1-enyl]-3,4-dihydropyran-5-amine
CID 167259867

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[4,5-bis(ethenyl)-2,2-dimethyl-3H-pyran-6-ylidene]pyrrolidine?
The IUPAC name of (2Z)-2-[4,5-bis(ethenyl)-2,2-dimethyl-3H-pyran-6-ylidene]pyrrolidine (CID 145138478) is (2Z)-2-[4,5-bis(ethenyl)-2,2-dimethyl-3H-pyran-6-ylidene]pyrrolidine.
What is the SMILES notation for (2Z)-2-[4,5-bis(ethenyl)-2,2-dimethyl-3H-pyran-6-ylidene]pyrrolidine?
The canonical SMILES for (2Z)-2-[4,5-bis(ethenyl)-2,2-dimethyl-3H-pyran-6-ylidene]pyrrolidine is C=CC1=C(C=C)/C(=C2\CCCN2)OC(C)(C)C1.
What is the InChIKey of (2Z)-2-[4,5-bis(ethenyl)-2,2-dimethyl-3H-pyran-6-ylidene]pyrrolidine?
The InChIKey is NRXADAJLQUVUEI-YPKPFQOOSA-N. The full InChI is InChI=1S/C15H21NO/c1-5-11-10-15(3,4)17-14(12(11)6-2)13-8-7-9-16-13/h5-6,16H,1-2,7-10H2,3-4H3/b14-13-.
What are the key properties of (2Z)-2-[4,5-bis(ethenyl)-2,2-dimethyl-3H-pyran-6-ylidene]pyrrolidine?
(2Z)-2-[4,5-bis(ethenyl)-2,2-dimethyl-3H-pyran-6-ylidene]pyrrolidine has a molecular weight of 231.34 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[4,5-bis(ethenyl)-2,2-dimethyl-3H-pyran-6-ylidene]pyrrolidine is sourced from PubChem (CID 145138478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).