ethane;2-methylidene-4,7-dihydro-3H-cyclohepta[e][1,3]oxazine

C12H17NO — CID 142074060

IUPACethane;2-methylidene-4,7-dihydro-3H-cyclohepta[e][1,3]oxazine
SMILESC=C1NCC2=C(C=CCC=C2)O1.CC
InChIInChI=1S/C10H11NO.C2H6/c1-8-11-7-9-5-3-2-4-6-10(9)12-8;1-2/h3-6,11H,1-2,7H2;1-2H3
InChIKeySRXMXQWTMSQBFI-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.87
Rot. Bonds

About ethane;2-methylidene-4,7-dihydro-3H-cyclohepta[e][1,3]oxazine

ethane;2-methylidene-4,7-dihydro-3H-cyclohepta[e][1,3]oxazine (PubChem CID 142074060) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is ethane;2-methylidene-4,7-dihydro-3H-cyclohepta[e][1,3]oxazine.

Molecular Properties

Compound Nameethane;2-methylidene-4,7-dihydro-3H-cyclohepta[e][1,3]oxazine
PubChem CID142074060
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Nameethane;2-methylidene-4,7-dihydro-3H-cyclohepta[e][1,3]oxazine
SMILESC=C1NCC2=C(C=CCC=C2)O1.CC
InChIInChI=1S/C10H11NO.C2H6/c1-8-11-7-9-5-3-2-4-6-10(9)12-8;1-2/h3-6,11H,1-2,7H2;1-2H3
InChIKeySRXMXQWTMSQBFI-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3Z,5E)-5-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine
CID 88576747
5,6-bis[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,3-oxazine
CID 134220357
(5Z,6E)-5-ethylidene-6-prop-2-enylidene-1,3-oxazinane
CID 137487501
(5Z,6E)-6-ethylidene-5-prop-2-enylidene-1,3-oxazinane
CID 137487544
7-tert-butyl-7-methyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine
CID 138480604
(6E)-6-[(Z)-but-2-enylidene]-5-methylidene-1,3-oxazinane
CID 138646483
(6E)-6-[(2Z)-penta-2,4-dienylidene]-5-propan-2-ylidene-1,3-oxazinane
CID 139458884
(3Z,5Z,7E)-4,8-dimethoxy-3,5,7-trimethyl-1,2-dihydroazocine
CID 141772377
(2E,3E)-2-ethylidene-4-methoxy-N-methylhexa-3,5-dien-1-amine
CID 142152851
(2E,3Z)-2-ethylidene-5-methoxy-N-methylhexa-3,5-dien-1-amine
CID 142207266
ethane;1-(5-methoxycyclohepta-1,4,6-trien-1-yl)-N-methylmethanamine
CID 142253242
(6E)-6-[(Z)-but-2-enylidene]-5-methylidene-1,3-oxazinane;ethane
CID 142277048

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylidene-4,7-dihydro-3H-cyclohepta[e][1,3]oxazine?
The IUPAC name of ethane;2-methylidene-4,7-dihydro-3H-cyclohepta[e][1,3]oxazine (CID 142074060) is ethane;2-methylidene-4,7-dihydro-3H-cyclohepta[e][1,3]oxazine.
What is the SMILES notation for ethane;2-methylidene-4,7-dihydro-3H-cyclohepta[e][1,3]oxazine?
The canonical SMILES for ethane;2-methylidene-4,7-dihydro-3H-cyclohepta[e][1,3]oxazine is C=C1NCC2=C(C=CCC=C2)O1.CC.
What is the InChIKey of ethane;2-methylidene-4,7-dihydro-3H-cyclohepta[e][1,3]oxazine?
The InChIKey is SRXMXQWTMSQBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO.C2H6/c1-8-11-7-9-5-3-2-4-6-10(9)12-8;1-2/h3-6,11H,1-2,7H2;1-2H3.
What are the key properties of ethane;2-methylidene-4,7-dihydro-3H-cyclohepta[e][1,3]oxazine?
ethane;2-methylidene-4,7-dihydro-3H-cyclohepta[e][1,3]oxazine has a molecular weight of 191.27 g/mol, XLogP of 2.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylidene-4,7-dihydro-3H-cyclohepta[e][1,3]oxazine is sourced from PubChem (CID 142074060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).